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AKOS BBB/086 is a chemical compound primarily used as a pharmaceutical intermediate. It is a white to off-white crystalline powder with a molecular formula of C21H21N3O3S and a molecular weight of 393.48 g/mol. AKOS BBB/086 is characterized by its ability to inhibit the activity of certain enzymes, making it a valuable component in the development of drugs targeting various medical conditions. Its specific applications and properties are detailed in scientific literature and pharmaceutical databases, where it is recognized for its potential role in medicinal chemistry.

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  • 5198-05-0 Structure
  • Basic information

    1. Product Name: AKOS BBB/086
    2. Synonyms: ASISCHEM D19393;AKOS BBB/086;[4-(3-Methylbutoxy)phenyl]amine;(4-isoamoxyphenyl)amine;4-(3-Methylbutoxy)benzenamine;ANILINE, p-(ISOPENTYLOXY)-;Benzenamine, 4-(3-methylbutoxy)- (9CI);p-(Isoamyloxy)aniline
    3. CAS NO:5198-05-0
    4. Molecular Formula: C11H17NO
    5. Molecular Weight: 179.26
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 5198-05-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 287.7°Cat760mmHg
    3. Flash Point: 125.4°C
    4. Appearance: /
    5. Density: 0.984g/cm3
    6. Vapor Pressure: 0.00244mmHg at 25°C
    7. Refractive Index: 1.523
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 5.24±0.10(Predicted)
    11. CAS DataBase Reference: AKOS BBB/086(CAS DataBase Reference)
    12. NIST Chemistry Reference: AKOS BBB/086(5198-05-0)
    13. EPA Substance Registry System: AKOS BBB/086(5198-05-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 5198-05-0(Hazardous Substances Data)

5198-05-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5198-05-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,9 and 8 respectively; the second part has 2 digits, 0 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5198-05:
(6*5)+(5*1)+(4*9)+(3*8)+(2*0)+(1*5)=100
100 % 10 = 0
So 5198-05-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H17NO/c1-9(2)7-8-13-11-5-3-10(12)4-6-11/h3-6,9H,7-8,12H2,1-2H3

5198-05-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-(3-methylbutoxy)aniline

1.2 Other means of identification

Product number -
Other names p-(Isopentyloxy)aniline

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5198-05-0 SDS

5198-05-0Relevant articles and documents

Chromatography-Free Multicomponent Synthesis of Thioureas Enabled by Aqueous Solution of Elemental Sulfur

Németh, András Gy.,Szabó, Renáta,Domján, Attila,Keser?, Gy?rgy M.,ábrányi-Balogh, Péter

, p. 16 - 27 (2020/12/31)

The development of a new three-component chromatography-free reaction of isocyanides, amines and elemental sulfur allowed us the straightforward synthesis of thioureas in water. Considering a large pool of organic and inorganic bases, we first optimized the preparation of aqueous polysulfide solution from elemental sulfur. Using polysulfide solution, we were able to omit the otherwise mandatory chromatography, and to isolate the crystalline products directly from the reaction mixture by a simple filtration, retaining the sulfur in the solution phase. A wide range of thioureas synthesized in this way confirmed the reasonable substrate and functional group tolerance of our protocol.

COMPOUND, DECORATIVE MATERIAL, DECORATED ARTICLE, AND INK COMPOSITION

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, (2020/03/27)

To provide a compound exhibiting golden glossiness and providing a film having flexibility.SOLUTION: There is provided a compound represented by the formula (1). Rand Rare each independently a substituted or unsubstituted C1 to 12 alkyl group, -(CH)-COO-R, -(CH)-O-R, -(CH)-CONH-R, -(CH)-CONH-(CH)-OH or the like; Rto Rare each independently a C1 to 6 alkyl group; nis an integer of 2 to 10; and mto mare integer of 1 to 6.SELECTED DRAWING: None

Synthesis and antimicrobial studies of new antibacterial azo-compounds active against staphylococcus aureus and listeria monocytogenes

Piotto, Stefano,Concilio, Simona,Sessa, Lucia,Diana, Rosita,Torrens, Gabriel,Juan, Carlos,Caruso, Ugo,Iannelli, Pio

, (2017/08/29)

Some novel (phenyl-diazenyl)phenols (4a–m) were designed and synthesized to be evaluated for their antibacterial activity. Starting from an active previously-synthesized azobenzene chosen as lead compound, we introduced some modifications and optimization of the structure, in order to improve solubility and drug conveyance. Structures of all newly-synthesized compounds were confirmed by 1H nuclear magnetic resonance (NMR), mass spectrometry, and UV-Vis spectroscopy. Antibacterial activity of the new compounds was tested with the dilution method against the bacteria strains Listeria monocytogenes, Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa PAO1. All the compounds were selectively active against Gram-positive bacteria. In particular, compounds 4d, 4h, and 4i showed the highest activity against S. aureus and Listeria monocytogenes, reaching remarkable MIC100 values of 4 μg/mL and 8 μg/mL. The relationship between antimicrobial activity and compound structure has suggested that the presence of hydroxyl groups seems to be essential for antimicrobial activity of phenolic compounds.

Synthesis and biological evaluation of novel IM3829 (4-(2-cyclohexylethoxy)aniline) derivatives as potent radiosensitizers

Ahn, Jiyeon,Nam, Ky-Youb,Lee, Sae-Lo-Oom,Ryu, Hwani,Choi, Hyun Kyung,Jie,Song

, p. 3623 - 3626 (2015/02/05)

Nuclear factor-erythroid 2-related factor 2 (Nrf2) regulates the expression of over 200 genes of antioxidant and phase II drug-metabolizing enzymes, and is highly expressed in non-small cell lung cancer (NSCLC). Nine derivatives of 4-(2-cyclohexylethoxy)aniline were designed. Our previous study demonstrated that IM3829 increases radiosensitivity of several lung cancer cells in vitro and in vivo. Here, biological effects of IM3829 derivatives (2a-2i) were evaluated. Compound 2g derivative effectively inhibits mRNA and protein expression of Nrf2 and HO-1. In addition, we observed over two fold enhancement in IR-induced cell death, from 2.90 ± 0.22 to 6.02 ± 0.87, in H1299 cancer cell-line. Among the nine derivatives, compound 2g derivative exhibited the highest enhancement of radiosensitizing effect via inhibition of Nrf2 activity.

Quadruply hydrogen-bonded heteroduplexes based on imide and urea units arrayed with ADDA/DAAD sequences

Li, Xianghui,Jia, Yiming,Ren, Yi,Wang, Youjia,Hu, Jinchuan,Ma, Teng,Feng, Wen,Yuan, Lihua

, p. 6975 - 6983 (2013/10/08)

A new class of imide- and urea-based hetero-strands with a quadruple ADDA/DAAD hydrogen-bond array was designed and synthesized from easily accessible starting materials. The molecular recognition between the two different strands depends highly on the su

The structure-activity relationship of urea derivatives as anti-tuberculosis agents

Brown, Joshua R.,North, Elton J.,Hurdle, Julian G.,Morisseau, Christophe,Scarborough, Jerrod S.,Sun, Dianqing,Korduláková, Jana,Scherman, Michael S.,Jones, Victoria,Grzegorzewicz, Anna,Crew, Rebecca M.,Jackson, Mary,McNeil, Michael R.,Lee, Richard E.

, p. 5585 - 5595 (2011/10/19)

The treatment of tuberculosis is becoming more difficult due to the ever increasing prevalence of drug resistance. Thus, it is imperative that novel anti-tuberculosis agents, with unique mechanisms of action, be discovered and developed. The direct anti-tubercular testing of a small compound library led to discovery of adamantyl urea hit compound 1. In this study, the hit was followed up through the synthesis of an optimization library. This library was generated by systematically replacing each section of the molecule with a similar moiety until a clear structure-activity relationship was obtained with respect to anti-tubercular activity. The best compounds in this series contained a 1-adamantyl-3-phenyl urea core and had potent activity against Mycobacterium tuberculosis plus an acceptable therapeutic index. It was noted that the compounds identified and the pharmacophore developed is consistent with inhibitors of epoxide hydrolase family of enzymes. Consequently, the compounds were tested for inhibition of representative epoxide hydrolases: M. tuberculosis EphB and EphE; and human soluble epoxide hydrolase. Many of the optimized inhibitors showed both potent EphB and EphE inhibition suggesting the antitubercular activity is through inhibition of multiple epoxide hydrolase enzymes. The inhibitors also showed potent inhibition of humans soluble epoxide hydrolase, but limited cytotoxicity suggesting that future studies must be towards increasing the selectivity of epoxide hydrolase inhibition towards the M. tuberculosis enzymes.

Fused ring compound and use thereof

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Page/Page column 41, (2010/08/07)

The present invention provides a compound represented by the formula: wherein the symbols are as described in the specification, or a salt thereof, which is useful for preventing/treating eicosanoid-associated diseases such as atherosclerosis, diabetes, obesity, atherothrombosis, asthma, fever, pain, cancer, rheumatism, osteoarthritis and atopic dermatitis, and which has an excellent pharmacological action, physicochemical properties, etc.

N-glycosyl-N′-[p-(isoamyloxy)phenyl]-thiourea derivatives: Potential anti-TB therapeutic agents

Liav, Avraham,Angala, Shiva K.,Brennan, Patrick J.

, p. 1176 - 1183 (2008/09/18)

Thiocarlide (THC; N,N′-bis[p-(isoamyloxy)phenyl]-thiourea; also known as Isoxyl) has been used in the past as an anti-tuberculosis agent. In an effort to improve the therapeutic value of THC, several N-glycosyl-N′-[p- (isoamyloxy)phenyl]-thiourea derivati

Symmetrical and unsymmetrical analogues of isoxyl; active agents against Mycobacterium tuberculosis

Bhowruth, Veemal,Brown, Alistair K.,Reynolds, Robert C.,Coxon, Geoffrey D.,Mackay, Simon P.,Minnikin, David E.,Besra, Gurdyal S.

, p. 4743 - 4747 (2008/12/23)

Symmetrical and unsymmetrical analogues of the antimycobacterial agent isoxyl-have been synthesized and tested against Mycobacterium tuberculosis H37Rv and Mycobacterium bovis BCG, some showing an increased bactericidal effect. In particular, compounds 1-(p-n-butylphenyl)-3-(4-propoxy-phenyl) thiourea (10) and 1-(p-n-butylphenyl)-3-(4-n-butoxy-phenyl) thiourea (11) showed an approximate 10-fold increase in in vitro potency compared to isoxyl, paralleled by increased inhibition of mycolic acid biosynthesis in M. bovis BCG. Interestingly, these isoxyl analogues showed relatively poor inhibition of oleate production, suggesting that the modifications have changed the spectrum of biological activity.

INHIBITORS OF MATRIX METALLOPROTEINASE

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Page/Page column 22, (2008/06/13)

Compounds of formula (I), wherein R1 represents optionally substituted C4-12 alkyl, optionally substituted C2-6alkylaryl, or optionally substituted 5- or 6- membered aryl or heteroaryl; Z represents a bond, CH2,

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