SB743921 - ≥95% , CAS No.940929-33-9

CAS: 940929-33-9 Cat. No.: S127932 Fórmula: C₃₁H₃₄Cl₂N₂O₃ Peso molecular: 553.53 PubChem CID: 49867937

GRADE & PURITY ≥95%

Synonyms

SB-743921 hydrochloride | SB743921 hydrochloride, >=98% (HPLC) | A859578 | AKOS024458497 | SB743921 HCl | SB-743921 HCl | AC-35953 | N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-1-benzopyran-2-yl)-2-methylpropyl]-4-methylbenzamide--hydrogen chl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

SB743921 is a kinesin spindle protein (KSP) inhibitor with Ki of 0.1 nM, almost no affinity to MKLP1, Kin2, Kif1A, Kif15, KHC, Kif4 and CENP-E.

Specifications

Sinónimos

SB-743921 hydrochloride | SB743921 hydrochloride, >=98% (HPLC) | A859578 | AKOS024458497 | SB743921 HCl | SB-743921 HCl | AC-35953 | N-(3-Aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxo-4H-1-benzopyran-2-yl)-2-methylpropyl]-4-methylbenzamide--hydrogen chl

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

SB-743921 is greater efficacy in vivo against P388 leukemia. SB-743921 has significant efficacy in a broad spectrum of tumor models differing from that of taxanes. SB-743921 is shown to have activity against advanced human tumor xenografts Colo205 (comple

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nota

Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504770958

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770958

Sorrisos canónicos

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C.Cl

IUPAC Name

N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide;hydrochloride

InChIKey

MLMZVWABFOLFGV-LNLSOMNWSA-N

INCHI

1S/C31H33ClN2O3.ClH/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30;/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3;1H/t28-;/m1./s1

SMILES isoméricas

CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C.Cl

WGK Alemanha

3

PubChem CID

49867937

Peso molecular

553.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Homoisoflavonoids
      • Subclass Homoisoflavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Homoisoflavonoids
• Subclass: Homoisoflavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Homoisoflavones
• Alternative Parents: N,N-dialkyl-p-toluamides Chromones Benzamides Benzoyl derivatives Pyranones and derivatives Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Homoisoflavone - Chromone - N,n-dialkyl-p-toluamide - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - P-toluamide - Benzamide - Toluamide - Benzoyl - Toluene - Pyranone - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Pyran - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Amine - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: DMSO 111 mg/mL Water 22 mg/mL Ethanol 111 mg/mL
• Peso molecular: 553.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 552.195 Da
• Monoisotopic Mass: 552.195 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 813.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3