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BMS-344577

CAT: 0013-GTR19195351-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195351-02Size:100 mg
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Description
BMS-344577 is an orally bioavailable, arylguanidine-based lactam derivative that acts as a potent and selective factor Xa (FXa) inhibitor. It demonstrates excellent in vitro activity and favorable pharmacokinetic/pharmacodynamic profiles in preclinical animal models, supporting its use in research on thrombosis and coagulation pathways.
CAS Number
288079-93-6
Smiles
N (=C (N[C@@H]1C (=O) N (CC (=O) N2CCCC2) CCCC1) NC (=O) C=3C=CC (C (N (C) C) =O) =NC3) C=4C=C5C (=CC4) OC (C) =C5
Molecular Formula
C31H37N7O5
Molecular Weight
587.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bms-344577
CAS Number288079-93-6
PubChem CID44473100
IUPAC Name2-N,2-N-dimethyl-5-N-[N-(2-methyl-1-benzofuran-5-yl)-N'-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl]pyridine-2,5-dicarboxamide
Molecular FormulaC31H37N7O5
Molecular Weight587.7
XLogP3.1
Topological Polar Surface Area140
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1060
SMILES
CC1=CC2=C(O1)C=CC(=C2)NC(=N[C@H]3CCCCN(C3=O)CC(=O)N4CCCC4)NC(=O)C5=CN=C(C=C5)C(=O)N(C)C
InChI
InChI=1S/C31H37N7O5/c1-20-16-22-17-23(10-12-26(22)43-20)33-31(35-28(40)21-9-11-24(32-18-21)29(41)36(2)3)34-25-8-4-5-15-38(30(25)42)19-27(39)37-13-6-7-14-37/h9-12,16-18,25H,4-8,13-15,19H2,1-3H3,(H2,33,34,35,40)/t25-/m0/s1
InChIKey
YLSKCQOVDOZHTQ-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Bms-344577
CAS: 288079-93-6
CID: 44473100
Formula: C31H37N7O5
MW: 587.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight587.7
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass587.28561731
Monoisotopic Mass587.28561731
Topological Polar Surface Area140 Ų
Heavy Atom Count43
Formal Charge0
Complexity1060
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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