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Chemical structure of RMC-6272

GC63894

RMC-6272

Also known as [(1R,2R,4S)-2-methoxy-4-[(2R)-2-[(1R,9S,12S,14R,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,14,18-trihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,20-tetraoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]cyclohexyl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[2-[4-[7-(6-amino-3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-fluoro-3-methylphenyl]sulfonylethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

RMC-6272 (RM-006) is a bi-steric mTORC1-selective inhibitor· RMC-6272 exhibits potent and selective (> 10-fold) inhibition of mTORC1 over mTORC2· RMC-6272 shows improved inhibition of mTORC1 in comparison to Rapamycin, and induces more cell death in TSC2 null tumors

ChemicalCAS2382769-46-0MW1850.22FormulaC95H141FN6O27S
CAS number
2382769-46-0
Molecular weight
1850.22
Formula
C95H141FN6O27S
InChIKey
SBCMKKFTXRBACH-URWOFZDBSA-N
Catalogue number
GC63894
Brand
GLPBIO
Computed properties PubChem CID 162642652 · XLogP 6.9 · TPSA 431 Ų · H-bond donors 6
XLogP
6.9
TPSA
431 Ų
H-bond donors
6
H-bond acceptors
30
Rotatable bonds
41
Heavy atoms
130

SMILES C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H]([C@@H](C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCS(=O)(=O)C5=C(C(=C(C=C5)C(=O)N6CCOC7=C(C6)C=C(C=C7)C8=CN=C(C=C8)N)C)F)O)C)/C)O)OC)C)C)/C)OC

Computed descriptors from PubChem (CID 162642652), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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