BMS-604992 free base

CAT: 0931-T40876Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T40876Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

760944-56-7

Target

Others, GHSR

Related Pathways

GPCR/G Protein, Others

Bioactivity

BMS-604992 (EX-1314) free base is a selective, orally active, small-molecule growth hormone secretagogue receptor (GHSR) agonist with high-affinity binding (k i = 2.3 nM) and potent functional activity (EC 50 = 0.4 nM), capable of stimulating food intake in rodents.

Smiles

CN(CC(N)=O)C(=O)OCc1cccc2nnc([C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)n12

Molecular Formula

C24H31N7O5

Molecular Weight

497.556

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

EX-1314 free base

CAS Number	760944-56-7
PubChem CID	24882668
IUPAC Name	[3-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methyl N-(2-amino-2-oxoethyl)-N-methylcarbamate
Molecular Formula	C24H31N7O5
Molecular Weight	497.5
XLogP	0.1
Topological Polar Surface Area	167
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Heavy Atom Count	36
Formal Charge	0
Complexity	761

SMILES

CC(C)(C(=O)N[C@H](COCC1=CC=CC=C1)C2=NN=C3N2C(=CC=C3)COC(=O)N(C)CC(=O)N)N

InChI

InChI=1S/C24H31N7O5/c1-24(2,26)22(33)27-18(15-35-13-16-8-5-4-6-9-16)21-29-28-20-11-7-10-17(31(20)21)14-36-23(34)30(3)12-19(25)32/h4-11,18H,12-15,26H2,1-3H3,(H2,25,32)(H,27,33)/t18-/m1/s1

InChIKey

HXOYZOFSGAXBOH-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 760944-56-7

CID: 24882668

Formula: C24H31N7O5

MW: 497.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	497.5
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	497.23866711
Monoisotopic Mass	497.23866711
Topological Polar Surface Area	167 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	761
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BMS-604992 free base

Chemical Information

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