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SCH79797 dihydrochloride

CAT: 0013-GTR19175812-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175812-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SCH79797 dihydrochloride is a potent and selective PAR1 antagonist with a Ki of 35 nM. It exhibits antiproliferative and pro-apoptotic activities, making it a useful tool for studying PAR1's role in cancer, thrombosis, and inflammation in both cellular and animal models.
CAS Number
1216720-69-2
Product Name Alternative
Cardioprotection, Apoptosis, antiproliferative, Inhibitor, Nonpeptide, inhibit, infarct, platelets, PAR-1, PAR1, thrombin, Thrombin receptors, thrombosis, pro-apoptotic, wortmannin, SCH 79797, SCH 79797 Dihydrochloride, SCH79797, SCH-79797, SCH79797 dihydrochloride, SCH79797 Dihydrochloride, SCH-79797 dihydrochloride, SCH-79797 Dihydrochloride, ProteaseactivatedReceptor, Protease activated receptor 1 (PAR1), Proteaseactivated Receptor, Protease Activated Receptor (PAR)
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Purity
98.58% (May vary between batches)
Solubility
Ethanol:10 mg/mL (22.5 mM) ; DMSO:20 mg/mL (45 mM)
Smiles
Cl.Cl.CC (C) c1ccc (Cn2ccc3c2ccc2nc (NC4CC4) nc (N) c32) cc1
Molecular Formula
C23H27Cl2N5
Molecular Weight
444.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SCH 79797 dihydrochloride
CAS Number1216720-69-2
PubChem CID45073452
IUPAC Name3-N-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine;dihydrochloride
Molecular FormulaC23H27Cl2N5
Molecular Weight444.4
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity527
SMILES
CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N.Cl.Cl
InChI
InChI=1S/C23H25N5.2ClH/c1-14(2)16-5-3-15(4-6-16)13-28-12-11-18-20(28)10-9-19-21(18)22(24)27-23(26-19)25-17-7-8-17;;/h3-6,9-12,14,17H,7-8,13H2,1-2H3,(H3,24,25,26,27);2*1H
InChIKey
NNJTXSQXGHYXAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SCH 79797 dihydrochloride
CAS: 1216720-69-2
CID: 45073452
Formula: C23H27Cl2N5
MW: 444.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass443.1643513
Monoisotopic Mass443.1643513
Topological Polar Surface Area68.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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