AZD5462

CAT: 0013-GTR19243910-06Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19243910-06Size:25 mg

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Description

AZD5462 is a RXFP1 modulator, can be used for heart failure research. RXFP1 is the cognate receptor for human relaxin, belongs to GPCR family 1c number with anti-fibrotic and anti-inflammatory properties.

CAS Number

2787501-83-9

Purity

>98% (HPLC)

Smiles

C (NCC1 (C) CCC1) (=O) [C@@H]2[C@H] (NC (=O) C3=C (OC) C=C (F) C (O[C@H]4CC[C@] (C (O) =O) (C) CC4) =C3) [C@@]5 (C[C@]2 (CC5) [H]) [H]

Molecular Formula

C30H41FN2O6

Molecular Weight

544.65

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Pexerelgon

CAS Number	2787501-83-9
PubChem CID	163395232
IUPAC Name	4-[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 Formula	C30H41FN2O6
Molecular Weight	544.7
XLogP	5.3
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	39
Formal Charge	0
Complexity	932

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

CAS: 2787501-83-9

CID: 163395232

Formula: C30H41FN2O6

MW: 544.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	544.7
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	544.29486519
Monoisotopic Mass	544.29486519
Topological Polar Surface Area	114 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	932
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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BA5812-1	AZD5462

AZD5462

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