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BMS 830216

CAT: 1410-M10704-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10704-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
The the phosphate ester prodrug of BMS 819881, a potent, selective melanin concentrating hormone receptor 1 (MCHR1) inhibitor with Ki of 10.4 nM.
CAS Number
1197420-06-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
548.931
Molecular Formula
C24H22ClN2O7PS
Notes
Research use only, not for human use.
Receptor
MCHR

Chemical Information

Bms-830216

BMS-830216 is under investigation in clinical trial NCT00909766 (Safety, Pharmacokinetics and Pharmacodynamics Study to Evaluate BMS-830216 in Obese Subjects).

CAS Number1197420-06-6
PubChem CID44539266
IUPAC Name[(1R)-2-[4-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-2-methoxyphenoxy]-1-cyclopropylethyl] dihydrogen phosphate
Molecular FormulaC24H22ClN2O7PS
Molecular Weight548.9
XLogP3.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity865
SMILES
COC1=C(C=CC(=C1)N2C=NC3=C(C2=O)SC(=C3)C4=CC=C(C=C4)Cl)OC[C@@H](C5CC5)OP(=O)(O)O
InChI
InChI=1S/C24H22ClN2O7PS/c1-32-20-10-17(8-9-19(20)33-12-21(14-2-3-14)34-35(29,30)31)27-13-26-18-11-22(36-23(18)24(27)28)15-4-6-16(25)7-5-15/h4-11,13-14,21H,2-3,12H2,1H3,(H2,29,30,31)/t21-/m0/s1
InChIKey
YDTUJCNTIMWHPJ-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Bms-830216
CAS: 1197420-06-6
CID: 44539266
Formula: C24H22ClN2O7PS
MW: 548.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.9
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass548.0573869
Monoisotopic Mass548.0573869
Topological Polar Surface Area146 Ų
Heavy Atom Count36
Formal Charge0
Complexity865
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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CatalogName
MBS5813804BMS-830216

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