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SB 743921 1mg

CAT: 0628-A10828-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A10828-1Size:1 mg
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CAS Number
940929-33-9

Chemical Information

Sb-743921

SB-743921 is a chromone that is 4H-chromen-4-one substituted by (1R)-1-[(3-aminopropyl)(4-methylbenzoyl)amino]-2-methylpropyl, benzyl, and chloro groups at positions 2, 3, and 7, respectively. It is a potent inhibitor of kinesin spindle protein (Ki = 0.1 nM) and exhibits antineoplastic activity. It has a role as an antineoplastic agent, a microtubule-destabilising agent and an apoptosis inducer. It is a tertiary carboxamide, a member of benzamides, a member of benzenes, a member of chromones, a member of toluenes, an organochlorine compound and a primary amino compound.

CAS Number940929-33-9
PubChem CID9936388
IUPAC NameN-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide
Molecular FormulaC31H33ClN2O3
Molecular Weight517.1
XLogP6.2
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity813
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
InChI
InChI=1S/C31H33ClN2O3/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/t28-/m1/s1
InChIKey
PGXYIBJJCLWJST-MUUNZHRXSA-N
Chemical Structure
2D Structure
2D structure of Sb-743921
CAS: 940929-33-9
CID: 9936388
Formula: C31H33ClN2O3
MW: 517.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.1
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass516.2179706
Monoisotopic Mass516.2179706
Topological Polar Surface Area72.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity813
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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