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Chemical structure of SC-VC-PAB-N-Me-L-Ala-Maytansinol

GC69869

SC-VC-PAB-N-Me-L-Ala-Maytansinol

Also known as (2,5-dioxopyrrolidin-1-yl) 6-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoate

SC-VC-PAB-N-Me-L-Ala-Maytansinol (compound B1) can be used for the synthesis of MCC-Maytansinoid· SC-VC-PAB-N-Me-L-Ala-Maytansinol can serve as a reference compound for cancer research

ChemicalCAS2226467-76-9MW1365.91FormulaC65H89ClN10O20
CAS number
2226467-76-9
Molecular weight
1365.91
Formula
C65H89ClN10O20
Solubility
DMSO ： 100 mg/mL (73·21 mM; Need ultrasonic)
InChIKey
NHXRUZDRXYIEFH-FZFOBTKRSA-N
Catalogue number
GC69869
Brand
GLPBIO
Computed properties PubChem CID 155091914 · XLogP 1.6 · TPSA 392 Ų · H-bond donors 7
XLogP
1.6
TPSA
392 Ų
H-bond donors
7
H-bond acceptors
20
Rotatable bonds
29
Heavy atoms
96

SMILES C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCN(C)C(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCC(=O)ON6C(=O)CCC6=O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 155091914), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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