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AZD-5462

CAT: 0957-E1995-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1995-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD-5462 (Example 1) is a modulator of RXFP1, the cognate receptor for human relaxin, that belongs to the GPCR family 1c number. AZD-5462 exhibits anti-fibrotic and anti-inflammatory properties.
CAS Number
2787501-83-9
Synonyms
Example 1
Target
Others
Activity
Others
Molecular Formula
C30H41FN2O6

Chemical Information

Pexerelgon
CAS Number2787501-83-9
PubChem CID163395232
IUPAC Name4-[2-fluoro-4-methoxy-5-[[(1S,2R,3S,4R)-3-[(1-methylcyclobutyl)methylcarbamoyl]-2-bicyclo[2.2.1]heptanyl]carbamoyl]phenoxy]-1-methylcyclohexane-1-carboxylic acid
Molecular FormulaC30H41FN2O6
Molecular Weight544.7
XLogP5.3
Topological Polar Surface Area114
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity932
SMILES
CC1(CCC1)CNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2NC(=O)C4=CC(=C(C=C4OC)F)OC5CCC(CC5)(C)C(=O)O
InChI
InChI=1S/C30H41FN2O6/c1-29(9-4-10-29)16-32-27(35)24-17-5-6-18(13-17)25(24)33-26(34)20-14-23(21(31)15-22(20)38-3)39-19-7-11-30(2,12-8-19)28(36)37/h14-15,17-19,24-25H,4-13,16H2,1-3H3,(H,32,35)(H,33,34)(H,36,37)/t17-,18+,19?,24+,25-,30?/m1/s1
InChIKey
LYUYYIGCZIZIGF-SRHODNEWSA-N
Chemical Structure
2D Structure
2D structure of Pexerelgon
CAS: 2787501-83-9
CID: 163395232
Formula: C30H41FN2O6
MW: 544.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.7
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass544.29486519
Monoisotopic Mass544.29486519
Topological Polar Surface Area114 Ų
Heavy Atom Count39
Formal Charge0
Complexity932
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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C02007-100mgAZD-5462
GTR19234635-01XPC-5462
M27961-01AZD-5672
M20665-01AZD-7648
BA5288-10AZD-5069
BA4429-50AZD-9574
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