SB743921 - ≥95% , CAS No.940929-33-9

CAS: 940929-33-9 Cat. No.: S127932 Formule: C₃₁H₃₄Cl₂N₂O₃ Poids moléculaire: 553.53 PubChem CID: 49867937

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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.

Spécifications

Synonymes

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

Spécifications et pureté

≥95%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Note

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

Pureté

≥95%

Noms et identifiants

Pubchem Sid

504770958

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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 Allemagne

3

PubChem CID

49867937

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO 111 mg/mL Water 22 mg/mL Ethanol 111 mg/mL
• Poids moléculaire: 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