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3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 179055-13-1 Structure
  • Basic information

    1. Product Name: 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE
    2. Synonyms: 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE;3-[3-(dimethylamino)prop-2-enoyl]benzonitrile
    3. CAS NO:179055-13-1
    4. Molecular Formula: C12H12N2O
    5. Molecular Weight: 200.24
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 179055-13-1.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 329.7±42.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.11±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 4.89±0.70(Predicted)
    10. CAS DataBase Reference: 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE(179055-13-1)
    12. EPA Substance Registry System: 3-[(E)-3-(DIMETHYLAMINO)-2-PROPENOYL]BENZENECARBONITRILE(179055-13-1)
  • 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: 179055-13-1(Hazardous Substances Data)

179055-13-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 179055-13-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,9,0,5 and 5 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 179055-13:
(8*1)+(7*7)+(6*9)+(5*0)+(4*5)+(3*5)+(2*1)+(1*3)=151
151 % 10 = 1
So 179055-13-1 is a valid CAS Registry Number.

179055-13-1Relevant articles and documents

PURINES AND METHODS OF THEIR USE

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Page/Page column 57-58, (2021/12/28)

Disclosed are compounds useful in the treatment of neurological disorders. The compounds described herein, alone or in combination with other pharmaceutically active agents, can be used for treating or preventing neurological diseases.

Synthesis, X-ray crystal structure, and biological activity of FR186054, a novel, potent, orally active inhibitor of acyl-CoA: Cholesterol O-acyltransferase (ACAT) bearing a pyrazole ring

Tanaka, Akira,Terasawa, Takeshi,Hagihara, Hiroyuki,Kinoshita, Takayoshi,Sakuma, Yuri,Ishibe, Noriko,Sawada, Masae,Takasugi, Hisashi,Tanaka, Hirokazu

, p. 81 - 86 (2007/10/03)

The synthesis, single crystal X-ray structural analysis, and biological activity of FR186054 (2c), a new, potent, orally efficacious inhibitor of acyl-CoA: cholesterol O-acyltransferase (ACAT), containing a pyrazole ring are described. This compound displ

Inhibitors of acyl-coA:cholesterol O-acyltransferase. 2. Identification and structure-activity relationships of a novel series of N-alkyl-N- (heteroaryl-substituted benzyl)-N'-arylureas

Tanaka, Akira,Terasawa, Takeshi,Hagihara, Hiroyuki,Sakuma, Yuri,Ishibe, Noriko,Sawada, Masae,Takasugi, Hisashi,Tanaka, Hirokazu

, p. 2390 - 2410 (2007/10/03)

A series of N-alkyl-N-(heteroaryl-substituted benzyl)-N'-arylurea and related derivatives represented by 2 and 3 have been prepared and evaluated for their ability to inhibit acyl-CoA:cholesterol O-acyltransferase in vitro and to lower plasma cholesterol levels in cholesterol-fed rats in vivo. Among these novel compounds, the type 3 series was superior. A pyrazol-3-yl group on the N-benzyl group of this trisubstituted urea (i.e. 3, Ar1 = pyrazol-3- yl) was identified as a heteroaromatic ring providing a good profile of biological activity. As a result of optimization of the combination with the N-alkyl group (R) and N-aryl group (At3), compound 3aq (FR186054) was identified as a new, orally efficacious ACAT inhibitor, which exhibited potent in vitro ACAT inhibitory activity (rabbit intestinal microsomes IC50 = 99 nM) and excellent hypocholesterolemic effects in cholesterol-fed rats, irrespective of administration mode (ED50 = 0.046 mg/kg dosed via the diet, ED50 = 0.44 mg/kg administered by gavage in PEG400 vehicle). Moreover, a toxicological study revealed compound 3aq to be nontoxic to the adrenal glands of dogs when tested at a single dose of 10 mg/kg po.

S-adenosylmethionine decarboxylase inhibitors: New aryl and heteroaryl analogues of methylglyoxal bis(guanylhydrazone)

Stanek,Caravatti,Capraro,Furet,Mett,Schneider,Regenass

, p. 46 - 54 (2007/10/02)

A series of 3-acylbenzamidine (amidino)hydrazones 7a-h, the corresponding (hetero)aromatic congeners 7i-p, and 3,3'-bis-amidino-biaryls 25a-e were synthesized. The hydrazones 7a-p were prepared by conversion of the corresponding acyl nitriles 1a,c-d,i,n-p to the imido esters 3a,c-d,i and the amidines 5a,c-d,h-i, followed by a reaction with aminoguanidine, or vice versa. Similarly, the biaryl 3,3'-dinitriles 23a-e were converted, via the imino esters 24a-c or the imino thioesters 27d-e, to the diamidines 25a-e. These new products are conformationally constrained analogues of methylglyoxal bis(guanylhydrazone) (MGBG). They are up to 100 times more potent as inhibitors of rat liver S-adenosylmethionine decarboxylase (SAMDC) and generally less potent inhibitors of rat small intestine diamine oxidase (DAO) than MGBG. Some of these SAMDC inhibitors, e.g., compounds 7a, 7e, 7i, 25a, and 25d, have shown antiproliferative effects against T24 human bladder carcinoma cells. These products, whose structure-activity relationships are discussed, are of interest as potential anticancer agents and drugs for the treatment of protozoal and Pneumocystis carinii infections.

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