BMS-665053

CAT: 0931-T26855-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T26855-02Size:50 mg

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

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CAS Number

1173435-64-7

Target

Others, CRFR

Related Pathways

Others, GPCR/G Protein

Bioactivity

BMS-665053 is a corticotropin-releasing factor-1 (CRF1) receptor antagonist (IC50 = 1.0 nM) that inhibits CRF-stimulated cyclic adenosine monophosphate (cAMP) production in human Y-79 retinoblastoma cells (IC50 = 4.9 nM) . It is also efficacious in the Defensive Withdrawal model of anxiety in rats and has low in vivo clearance [Cl = 17 mL/min/kg, t1⁄2 = 7.8 h].

Smiles

[C@@H](C)(N1C(=O)C(NC2=C(Cl)C=C(OC(F)F)C=C2Cl)=NC(Cl)=C1)C3CC3

Molecular Formula

C16H14Cl3F2N3O2

Molecular Weight

424.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 44194975

CAS Number	1173435-64-7
PubChem CID	44194975
IUPAC Name	5-chloro-1-[(1S)-1-cyclopropylethyl]-3-[2,6-dichloro-4-(difluoromethoxy)anilino]pyrazin-2-one
Molecular Formula	C16H14Cl3F2N3O2
Molecular Weight	424.7
XLogP	5
Topological Polar Surface Area	53.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	604

SMILES

C[C@@H](C1CC1)N2C=C(N=C(C2=O)NC3=C(C=C(C=C3Cl)OC(F)F)Cl)Cl

InChI

InChI=1S/C16H14Cl3F2N3O2/c1-7(8-2-3-8)24-6-12(19)22-14(15(24)25)23-13-10(17)4-9(5-11(13)18)26-16(20)21/h4-8,16H,2-3H2,1H3,(H,22,23)/t7-/m0/s1

InChIKey

NFRNVFLIULAQST-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1173435-64-7

CID: 44194975

Formula: C16H14Cl3F2N3O2

MW: 424.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	424.7
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	423.011966
Monoisotopic Mass	423.011966
Topological Polar Surface Area	53.9 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	604
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-665053

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