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  • 65512-08-5 Structure
  • Basic information

    1. Product Name: Benzenebutanol, methanesulfonate
    2. Synonyms:
    3. CAS NO:65512-08-5
    4. Molecular Formula: C11H16O3S
    5. Molecular Weight: 228.312
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 65512-08-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: Benzenebutanol, methanesulfonate(CAS DataBase Reference)
    10. NIST Chemistry Reference: Benzenebutanol, methanesulfonate(65512-08-5)
    11. EPA Substance Registry System: Benzenebutanol, methanesulfonate(65512-08-5)
  • 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: 65512-08-5(Hazardous Substances Data)

65512-08-5 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 65512-08-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,5,5,1 and 2 respectively; the second part has 2 digits, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 65512-08:
(7*6)+(6*5)+(5*5)+(4*1)+(3*2)+(2*0)+(1*8)=115
115 % 10 = 5
So 65512-08-5 is a valid CAS Registry Number.

65512-08-5Relevant articles and documents

A Non-Competitive Inhibitor of VCP/p97 and VPS4 Reveals Conserved Allosteric Circuits in Type I and II AAA ATPases

P?hler, Robert,Krahn, Jan H.,van den Boom, Johannes,Dobrynin, Grzegorz,Kaschani, Farnusch,Eggenweiler, Hans-Michael,Zenke, Frank T.,Kaiser, Markus,Meyer, Hemmo

supporting information, p. 1576 - 1580 (2018/01/22)

AAA ATPases have pivotal functions in diverse cellular processes essential for survival and proliferation. Revealing strategies for chemical inhibition of this class of enzymes is therefore of great interest for the development of novel chemotherapies or chemical tools. Here, we characterize the compound MSC1094308 as a reversible, allosteric inhibitor of the type II AAA ATPase human ubiquitin-directed unfoldase (VCP)/p97 and the type I AAA ATPase VPS4B. Subsequent proteomic, genetic and biochemical studies indicate that MSC1094308 binds to a previously characterized drugable hotspot of p97, thereby inhibiting the D2 ATPase activity. Our results furthermore indicate that a similar allosteric site exists in VPS4B, suggesting conserved allosteric circuits and drugable sites in both type I and II AAA ATPases. Our results may thus guide future chemical tool and drug discovery efforts for the biomedically relevant AAA ATPases.

Preparation and palladium-mediated cross-coupling of α- benzoyloxyalkylzinc bromides

Sakata, Komei,Urabe, Daisuke,Inoue, Masayuki

supporting information, p. 4189 - 4192 (2013/07/26)

Here we report a two-step preparation protocol of α- benzoyloxyalkylzinc bromides from α-benzoyloxyalkyl selenides, and their application to palladium-catalyzed cross-coupling reactions with aryl and vinyl iodides. The developed method effectively provides a variety of benzoyl-protected benzylic and allylic alcohol derivatives through the formation of C(sp3)-C(sp2) bonds without affecting various polar functional groups.

Discovery of LASSBio-772, a 1,3-benzodioxole N-phenylpiperazine derivative with potent alpha 1A/D-Adrenergic receptor blocking properties

Romeiro, Luiz A.S.,Da Silva Ferreira, Marcos,Da Silva, Leandro L.,Castro, Helena C.,Miranda, Ana L.P.,Silva, Cláudia L.M.,No?l, Franois,Nascimento, Jéssica B.,Araújo, Claudia V.,Tibiri?á, Eduardo,Barreiro, Eliezer J.,Fraga, Carlos A.M.

supporting information; experimental part, p. 3000 - 3012 (2011/07/08)

We described herein the discovery of 1-(2-(benzo[d] [1,3]dioxol-6-yl)ethyl) -4-(2-methoxyphenyl) piperazine (LASSBio-772), as a novel potent and selective alpha 1A/1D adrenoceptor (AR) antagonist selected after screening of functionalized N-phenylpiperazine derivatives in phenylephrine-induced vasoconstriction of rabbit aorta rings. The affinity of LASSBio-772 for alpha 1A and alpha 1B AR subtypes was determined through displacement of [ 3H]prazosin binding. We obtained Ki values of 0.14 nM for the alpha 1A-AR, similar to that displayed by tamsulosin (Ki = 0.13 nM) and 5.55 nM for the alpha 1B-AR, representing a 40-fold higher affinity for alpha 1A-AR. LASSBio-772 also presented high affinity (KB = 0.025 nM) for the alpha 1D-AR subtype in the functional rat aorta assay, showing to be equipotent to tamsulosin (KB = 0.017 nM).

New anthranilic acid based antagonists with high affinity and selectivity for the human cholecystokinin receptor 1 (hCCK1-R)

Pavan, Michela V.,Lassiani, Lucia,Berti, Federico,Stefancich, Giorgio,Ciogli, Alessia,Gasparrini, Francesco,Mennuni, Laura,Ferrari, Flora,Escrieut, Chantal,Marco, Esther,Makovec, Francesco,Fourmy, Daniel,Varnavas, Antonio

supporting information; experimental part, p. 5769 - 5785 (2011/10/09)

The anthranilic acid diamides represent the most recent class of nonpeptide CCK1 receptor (CCK1-R) antagonists. Herein we describe the second phase of the anthranilic acid C-terminal optimization using nonproteinogenic amino acids containing a phenyl ring in their side chain. The Homo-Phe derivative 2 (VL-0797) enhanced 12-fold the affinity for the rat CCK1-R affinity and 15-fold for the human CCK1-R relative to the reference compound 12 (VL-0395). The eutomer of 2 (6) exhibited a nanomolar range affinity toward the human CCK1-R and was at least 400-fold selective for the CCK1-R over the CCK2-R. Molecular docking in the modeled CCK1-R and its validation by site-directed mutagenesis experiments showed that the 6 binding site overlaps that occupied by the C-terminal bioactive region of the natural agonist CCK. Owing to their interesting properties, new compounds provided by this study represent a solid basis for further advances aimed at synthesis of clinically valuable CCK1-R antagonists.

Copper-catalyzed remote sp3 C-H chlorination of alkyl hydroperoxides

Kundu, Rituparna,Ball, Zachary T.

supporting information; experimental part, p. 2460 - 2463 (2010/07/05)

A copper-catalyzed methodology to functionalize remote sp3 C-H bonds in alkyl hydroperoxides is presented. The atom-transfer chlorination utilizes simple ammonium chloride salts as the chlorine source, and the internal redox process requires no external redox reagents.

UREA GLUCOKINASE ACTIVATORS

-

Page/Page column 66, (2008/12/07)

This application relates to novel urea glucokinase activators and use of the compounds of the invention for preparation of a medicament for the treatment of various diseases, e.g. for the treatment of type 2 diabetes. Further encompassed is a pharmaceutic

Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors

Terasaka, Tadashi,Kinoshita, Takayoshi,Kuno, Masako,Seki, Nobuo,Tanaka, Kohichiro,Nakanishi, Isao

, p. 3730 - 3743 (2007/10/03)

We disclose herein optimization efforts around the novel, highly potent non-nucleoside adenosine deaminase (ADA) inhibitor, 1-[(R)-1-hydroxy-4-(6-(3-(1- methylbenzimidazol-2-yl)propionylamino)indol-1-yl)-2-butyl]imidazole-4- carboxamide 1 (Ki =

Synthesis of the β2 Agonist (R)-Salmeterol Using a Sequence of Supported Reagents and Scavenging Agents

Bream, Robert N.,Ley, Steven V.,Procopiou, Panayiotis A.

, p. 3793 - 3796 (2007/10/03)

(Matrix Presented) The enantioselective synthesis of (R)-salmeterol has been achieved by using a sequence of supported reagents and sequestering agents. The saligenin core was installed by a regiospecific alkylation and a chiral auxiliary approach was employed to introduce the desired stereochemistry via a diastereoselective reduction.

2-substituted-(2SR)-2-amino-2-((1SR,2SR)-2-carboxycycloprop-1- yl)glycines as potent and selective antagonists of group II metabotropic glutamate receptors. 1. Effects of alkyl, arylalkyl, and diarylalkyl substitution

Ornstein, Paul L.,Bleisch, Thomas J.,Arnold, M. Brian,Wright, Rebecca A.,Johnson, Bryan G.,Schoepp, Darryle D.

, p. 346 - 357 (2007/10/03)

In this paper, we describe the synthesis of a series of α-substituted analogues of the potent and selective group II metabotropic glutamate receptor (mGluR) agonist (1S,1'S,2'S)-carboxy-cyclopropylglycine (2, L-CCG 1). Incorporation of a substituent on the amino acid carbon converted the agonist 2 into an antagonist. All of the compounds were prepared and tested as a aeries of four isomers, i.e., two racemic diastereomers. We explored alkyl substitution, both normal and terminally branched; phenylalkyl and diphenylalkyl substitution; and a variety of aromatic and carbocyclic surrogates for phenyl. Affinity for group II mGluRs was measured using [3H]glutamic acid (Glu) binding in rat forebrain membranes. Antagonist activity was confirmed for these compounds by measuring their ability to antagonize (1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid-induced inhibition of forskolin-stimulated cyclic-AMP in RGT cells transfected with human mGluR2 and mGluR3. We found that while alkyl substitution provided no increase in affinity relative to 2, phenylethyl and diphenylethyl substitution, as in 105 and 109, respectively, were quite beneficial. The affinity of 109 was further enhanced when the two aromatic rings were joined by an oxygen or sulfur atom to form the tricyclic xanthylmethyl and thioxanthylmethyl amino acids 113 and 114, respectively. Amino acid 113, with an IC50 of 0.010 μM in the [3H]Glu binding assay, was 52-fold more potent than 2, whose IC50 was 0.47 μM.

Cyclisation studies of 5-arylalkyl-1,2,3,4,5,6,7,8-octahydroisoquinolines

Dennison, Philip R.,Gibson, Alan,Gray, Alexander I.,Patrick, Graham L.

, p. 721 - 727 (2007/10/03)

Treatment of 1-methyl-5-(3-phenylpropyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline with 48% HBr results in isomerisation of the double bond and cyclisation at position-5 of the octahydroisoquinoline ring system to give a novel spiro structure. This is in cont

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