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Chemical structure of (32-Carbonyl)-RMC-5552

GC63524

(32-Carbonyl)-RMC-5552

Also known as [(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-12-yl]propyl]-2-methoxycyclohexyl] N-[2-[2-[2-[2-[2-[2-[2-[2-[3-[6-[[4-amino-3-(2-amino-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

(32-Carbonyl)-RMC-5552 is a potent mTOR inhibitor· (32-Carbonyl)-RMC-5552 inhibits mTORC1 and mTORC2 substrate (p-P70S6K-(T389), p-4E-BP1-(T37/36), AND p-AKT1/2/3-(S473)) phosphorylation with pIC50s of > 9, >9 and between 8 and 9, respectively (patent WO2019212990A1, example 2)

ChemicalCAS2382768-55-8MW1776.11FormulaC93H134N10O24
CAS number
2382768-55-8
Molecular weight
1776.11
Formula
C93H134N10O24
Solubility
DMSO ： 146·67 mg/mL (82·58 mM; Need ultrasonic)
InChIKey
CHLJLODIXLIFHL-ZDVRXXCFSA-N
Catalogue number
GC63524
Brand
GLPBIO
Computed properties PubChem CID 168013197 · XLogP 6.9 · TPSA 429 Ų · H-bond donors 5
XLogP
6.9
TPSA
429 Ų
H-bond donors
5
H-bond acceptors
30
Rotatable bonds
38
Heavy atoms
127

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(=O)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)N5CCC6=C(C5)C=CC(=C6)CN7C8=NC=NC(=C8C(=N7)C9=CC1=C(C=C9)OC(=N1)N)N)C)/C)O)OC)C)C)/C)OC

Computed descriptors from PubChem (CID 168013197), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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