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Zelasudil

CAT: 1410-M36300-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M36300-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Zelasudil (RXC007) is a Rho-related (ROCK) kinase inhibitor for the study of idiopathic pulmonary fibrosis and inflammation.
CAS Number
2365193-22-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
437.445
Molecular Formula
C22H21F2N7O
Notes
Research use only, not for human use.
Receptor
ROCK

Chemical Information

Zelasudil
CAS Number2365193-22-0
PubChem CID155792249
IUPAC Name4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide
Molecular FormulaC22H21F2N7O
Molecular Weight437.4
XLogP4.2
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity658
SMILES
CN1C(=NC(=N1)C2=CC=C(C=C2)C(=O)NCC(F)F)NC3=C(C4=C(C=C3)NN=C4)C5CC5
InChI
InChI=1S/C22H21F2N7O/c1-31-22(27-17-9-8-16-15(10-26-29-16)19(17)12-2-3-12)28-20(30-31)13-4-6-14(7-5-13)21(32)25-11-18(23)24/h4-10,12,18H,2-3,11H2,1H3,(H,25,32)(H,26,29)(H,27,28,30)
InChIKey
HSZPZEGJQCFGDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zelasudil
CAS: 2365193-22-0
CID: 155792249
Formula: C22H21F2N7O
MW: 437.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.4
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass437.17756464
Monoisotopic Mass437.17756464
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity658
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E1978-1gZelasudil

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