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DPC-423

CAT: 0013-GTR19197742-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197742-01Size:25 mg
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Description
DPC-423 is a selective factor Xa inhibitor used in thrombosis research. It serves as a key pharmacological tool for studying anticoagulant mechanisms in both in vitro enzymatic assays and in vivo animal models of thrombosis.
CAS Number
292135-59-2
Field of Research
Metabolism Research
Smiles
Cl.O=C (NC1=CC=C (C=C1F) C=2C=CC=CC2S (=O) (=O) C) C3=CC (=NN3C4=CC=CC (=C4) CN) C (F) (F) F
Molecular Formula
C25H21ClF4N4O3S
Molecular Weight
568.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dpc-423
CAS Number292135-59-2
PubChem CID9937921
IUPAC Name1-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;hydrochloride
Molecular FormulaC25H21ClF4N4O3S
Molecular Weight569.0
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity899
SMILES
CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)F.Cl
InChI
InChI=1S/C25H20F4N4O3S.ClH/c1-37(35,36)22-8-3-2-7-18(22)16-9-10-20(19(26)12-16)31-24(34)21-13-23(25(27,28)29)32-33(21)17-6-4-5-15(11-17)14-30;/h2-13H,14,30H2,1H3,(H,31,34);1H
InChIKey
LJBVKRYJJZQKGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dpc-423
CAS: 292135-59-2
CID: 9937921
Formula: C25H21ClF4N4O3S
MW: 569.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass568.0959021
Monoisotopic Mass568.0959021
Topological Polar Surface Area115 Ų
Heavy Atom Count38
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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