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Chemical structure of Cyclosporin A-Derivative 1 Free base

GC35784

Cyclosporin A-Derivative 1 Free base

Also known as methyl 2-[[(2S)-2-[[(E,2S,3R,4R)-3-acetyloxy-4-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[methyl-[(2S)-4-methyl-2-[methyl-[(2R)-2-[[(2S)-2-[[(2S)-4-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]oct-6-enoyl]amino]butanoyl]-methylamino]acetate

Cyclosporin A-Derivative 1 (Free base) is a crystalline intermediate derived from the opening of cyclosporin A extracted from patent WO 2013167703 A1

ChemicalCAS286852-20-8MW1276.69FormulaC65H117N11O14
CAS number
286852-20-8
Molecular weight
1276.69
Formula
C65H117N11O14
Solubility
DMSO ： 100 mg/mL (78·33 mM; Need ultrasonic)
InChIKey
PSOOLRRRIPXEQE-VFELDGILSA-N
Catalogue number
GC35784
Brand
GLPBIO
Computed properties PubChem CID 88979347 · XLogP 7.7 · TPSA 303 Ų · H-bond donors 5
XLogP
7.7
TPSA
303 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
40
Heavy atoms
90

SMILES CC[C@@H](C(=O)N(C)CC(=O)OC)NC(=O)[C@H]([C@@H]([C@H](C)C/C=C/C)OC(=O)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC

Computed descriptors from PubChem (CID 88979347), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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