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BMS-186511

CAT: 0013-GTR19209699-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209699-02Size:50 mg
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Description
BMS-186511 is a selective farnesyltransferase (FT) inhibitor that acts as a bisubstrate analogue, demonstrating potential anticancer activity. It has been shown in vitro to reverse the malignant phenotype of NF1-associated schwannoma cells, inhibiting their growth in soft agar and promoting contact inhibition.
CAS Number
167467-53-0
Field of Research
Metabolism Research
Smiles
[C@H] (C (N[C@@H] (CCSC) C (OC) =O) =O) (NC ([C@@H] (NC (CCP (C/C=C (/CC/C=C (/CCC=C (C) C) \C) \C) (=O) O) =O) C (C) C) =O) [C@H] (C) C
Molecular Formula
C34H60N3O7PS
Molecular Weight
685.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 9874761
CAS Number167467-53-0
PubChem CID9874761
IUPAC Name[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphinic acid
Molecular FormulaC34H60N3O7PS
Molecular Weight685.9
XLogP5.7
Topological Polar Surface Area176
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count23
Heavy Atom Count46
Formal Charge0
Complexity1130
SMILES
CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)CCP(=O)(C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O
InChI
InChI=1S/C34H60N3O7PS/c1-23(2)13-11-14-26(7)15-12-16-27(8)17-20-45(42,43)21-18-29(38)36-30(24(3)4)33(40)37-31(25(5)6)32(39)35-28(19-22-46-10)34(41)44-9/h13,15,17,24-25,28,30-31H,11-12,14,16,18-22H2,1-10H3,(H,35,39)(H,36,38)(H,37,40)(H,42,43)/b26-15+,27-17+/t28-,30-,31-/m0/s1
InChIKey
QNNCDQUXVSUVDG-QKFLMABSSA-N
Chemical Structure
2D Structure
2D structure of CID 9874761
CAS: 167467-53-0
CID: 9874761
Formula: C34H60N3O7PS
MW: 685.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight685.9
XLogP35.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count23
Exact Mass685.38895943
Monoisotopic Mass685.38895943
Topological Polar Surface Area176 Ų
Heavy Atom Count46
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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