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

Physicochemical Properties

Molecular Formula	C93H134N10O24
Molecular Weight	1776.11
Exact Mass	1774.957
CAS #	2382768-55-8
PubChem CID	162642651
Appearance	White to off-white solid powder
LogP	6.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	30
Rotatable Bond Count	38
Heavy Atom Count	127
Complexity	3510
Defined Atom Stereocenter Count	15
SMILES	NC1N=CN=C2N(N=C(C3=CC=C4OC(=NC4=C3)N)C2=1)CC1=CC=C2CN(CCC2=C1)C(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)O[C@@H]1CC[C@H](C[C@H]1OC)C[C@H]([C@]1([H])CC([C@@H](C=C([C@H]([C@H](C([C@@H](C[C@@H](C=CC=CC=C([C@H](C[C@]2([H])CC[C@H]([C@@](O2)(C(C(N2CCCC[C@@]2([H])C(O1)=O)=O)=O)O)C)OC)C)C)C)=O)OC)O)C)C)=O)C |t:85,93,95,97|
InChi Key	CHLJLODIXLIFHL-ZDVRXXCFSA-N
InChi Code	InChI=1S/C93H134N10O24/c1-59-16-12-11-13-17-60(2)77(113-8)54-71-24-19-65(7)93(112,127-71)86(108)89(109)102-30-15-14-18-73(102)90(110)124-78(55-74(104)61(3)49-64(6)84(107)85(115-10)83(106)63(5)48-59)62(4)50-66-21-25-76(79(52-66)114-9)126-92(111)96-29-33-117-35-37-119-39-41-121-43-45-123-47-46-122-44-42-120-40-38-118-36-34-116-32-28-80(105)101-31-27-68-51-67(20-22-70(68)57-101)56-103-88-81(87(94)97-58-98-88)82(100-103)69-23-26-75-72(53-69)99-91(95)125-75/h11-13,16-17,20,22-23,26,49,51,53,58-59,61-63,65-66,71,73,76-79,84-85,107,112H,14-15,18-19,21,24-25,27-48,50,52,54-57H2,1-10H3,(H2,95,99)(H,96,111)(H2,94,97,98)/b13-11-,16-12-,60-17-,64-49-/t59-,61-,62-,63-,65-,66+,71+,73+,76-,77+,78+,79-,84-,85+,93-/m1/s1
Chemical Name	[(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
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. C40-, c28-, and c-32-linked rapamycin analogs as mtor inhibitors. WO2019212990A1.

Solubility Data

Solubility (In Vitro)

DMSO: 146.67 mg/mL (82.58 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 5.5 mg/mL (3.10 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 55.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	0.5630 mL	2.8151 mL	5.6303 mL
	5 mM	0.1126 mL	0.5630 mL	1.1261 mL
	10 mM	0.0563 mL	0.2815 mL	0.5630 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.