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Chemical structure of (S,R,S)-AHPC-CO-C9-acid

GC69948

(S,R,S)-AHPC-CO-C9-acid

Also known as 11-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-11-oxoundecanoic acid

“(S,R,S)-AHPC-CO-C9-acid“ is a ligand-linker complex of E3 ligase, which can be attached to the ligand of a protein to form a PROTAC·“

ChemicalCAS2172819-78-0MW628.82FormulaC33H48N4O6S
CAS number
2172819-78-0
Molecular weight
628.82
Formula
C33H48N4O6S
Solubility
DMSO ： 100 mg/mL (159·03 mM; Need ultrasonic)
InChIKey
MTQZLQCVZFDQOZ-DIIXFEDBSA-N
Catalogue number
GC69948
Brand
GLPBIO
Computed properties PubChem CID 134184031 · XLogP 5.2 · TPSA 177 Ų · H-bond donors 4
XLogP
5.2
TPSA
177 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
17
Heavy atoms
44

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCC(=O)O)O

Computed descriptors from PubChem (CID 134184031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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