WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H122953
CAS#: 2250059-27-7
Description: RMC-4529 has an IC50 value of 1.0 nM against p-4E-BP1-(T37/46) in mTOR kinase cellular assay.
Hodoodo Cat#: H122953
Name: RMC-4529
CAS#: 2250059-27-7
Chemical Formula: C90H139N13O23
Exact Mass: 1,770.01
Molecular Weight: 1,771.170
Elemental Analysis: C, 61.03; H, 7.91; N, 10.28; O, 20.78
This product is not in stock, which may be available by custom synthesis.
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Synonym: RMC-4529; HY-115869; CS-0371231
IUPAC/Chemical Name: N-(4-(4-amino-3-(2-aminobenzo[d]oxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)butyl)-1-(4-(((((3S,5R,6R,7E,9R,10S,11E,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-((R)-1-((1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl)propan-2-yl)-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-1,28,29-trioxo-1,3,4,5,6,9,10,12,13,14,21,22,23,24,25,26,27,28,29,31,32,33,34,34a-tetracosahydro-11H-23,27-epoxypyrido[2,1-c][1]oxa[4]azacyclohentriacontin-11-ylidene)amino)oxy)methyl)-1H-1,2,3-triazol-1-yl)-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-amide
InChi Key: PSGYEYPZNOWGNB-DTGDRGTPSA-N
InChi Code: InChI=1S/C90H139N13O23/c1-59-19-13-12-14-20-60(2)74(111-8)54-69-25-22-65(7)90(110,126-69)84(107)87(108)102-30-17-15-21-71(102)88(109)124-76(62(4)51-66-23-26-72(104)77(52-66)113-10)55-75(112-9)61(3)50-64(6)82(106)83(114-11)80(63(5)49-59)99-123-57-68-56-101(100-97-68)32-34-116-36-38-118-40-42-120-44-46-122-48-47-121-45-43-119-41-39-117-37-35-115-33-28-78(105)93-29-16-18-31-103-86-79(85(91)94-58-95-86)81(98-103)67-24-27-73-70(53-67)96-89(92)125-73/h12-14,19-20,24,27,50,53,56,58-59,61-63,65-66,69,71-72,74-77,82-83,104,106,110H,15-18,21-23,25-26,28-49,51-52,54-55,57H2,1-11H3,(H2,92,96)(H,93,105)(H2,91,94,95)/b14-12+,19-13+,60-20+,64-50+,99-80+/t59-,61-,62-,63-,65-,66+,69+,71+,72-,74+,75-,76+,77-,82-,83+,90-/m1/s1
SMILES Code: NC1=C2C(C3=CC=C4OC(N)=NC4=C3)=NN(CCCCNC(CCOCCOCCOCCOCCOCCOCCOCCOCCN5C=C(CO/N=C6[C@H](OC)[C@H](O)/C(C)=C/[C@@H](C)[C@H](OC)C[C@@]([H])([C@@H](C[C@H]7C[C@@H](OC)[C@H](O)CC7)C)OC([C@]8(N(C(C([C@]9(O)O[C@]([H])(C[C@H](OC)/C(C)=C/C=C/C=C/[C@@H](C)C[C@H]/6C)CC[C@H]9C)=O)=O)CCCC8)[H])=O)N=N5)=O)C2=NC=N1
Appearance: To be determined
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 1,771.17 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
Lee et al. Selective inhibitors of mTORC1 activate 4EBP1 and suppress tumor growth. Nature Chemical Biology, DOI: 10.1038/s41589-021-00813-7, published online 24 June 2021
