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Chemical structure of Atrasentan

GC35424

Atrasentan

Also known as (2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

Atrasentan (ABT-627) is an endothelin receptor antagonist with IC50 of 0·0551 nM for ETA

ChemicalCAS173937-91-2MW510.62FormulaC29H38N2O6
CAS number
173937-91-2
Molecular weight
510.62
Formula
C29H38N2O6
Solubility
DMSO ： 100 mg/mL (184·27 mM; Need ultrasonic)
InChIKey
MOTJMGVDPWRKOC-QPVYNBJUSA-N
Catalogue number
GC35424
Brand
GLPBIO
Computed properties PubChem CID 159594 · XLogP 2.4 · TPSA 88.5 Ų · H-bond donors 1
XLogP
2.4
TPSA
88.5 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
37

SMILES CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4

Computed descriptors from PubChem (CID 159594), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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