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Chemical structure of PF-06380101

GC33136

PF-06380101

Also known as (2S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide

PF-06380101 (Aur0101), an auristatin microtubule inhibitor, is a cytotoxic Dolastatin 10 analogue· PF-06380101 (Aur0101) shows excellent potencies in tumor cell proliferation assays and differential ADME properties when compared to other synthetic auristatin analogues that are used in the preparation of ADCs

ChemicalCAS1436391-86-4MW743.01FormulaC39H62N6O6S
CAS number
1436391-86-4
Molecular weight
743.01
Formula
C39H62N6O6S
Solubility
DMSO ： ≥ 65 mg/mL (87·48 mM)
InChIKey
QAAFNSMAIAVCHE-BZLYQNAUSA-N
Catalogue number
GC33136
Brand
GLPBIO
Computed properties PubChem CID 71569947 · XLogP 4.1 · TPSA 184 Ų · H-bond donors 3
XLogP
4.1
TPSA
184 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
19
Heavy atoms
52

SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C)(C)N

Computed descriptors from PubChem (CID 71569947), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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