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RMC-4627

CAT: 0804-HY-143510-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-143510-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RMC-4627 is a selective mTORC1 inhibitor that activates 4EBP1 and inhibits tumor growth.
CAS Number
2250059-52-8
UNSPSC
12352005
Target
MTOR
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/rmc-4627.html
Purity
99.20
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
NC1=C2C(C3=CC4=CC(O)=CC=C4N3)=NN(C2=NC=N1)CCCCNC(CCOCCOCCOCCOCCOCCOCCOCCOCCN5C=C(N=N5)CCCCO[C@H]6[C@@H](C[C@@H](CC6)C[C@H]([C@@]7([H])OC([C@@]8([H])N(CCCC8)C(C([C@@]9(O[C@](CC[C@H]9C)([H])C[C@@H](/C(C)=C/C=C/C=C/[C@H](C[C@H](C([C@@H]([C@@H](/C(C)=C/[C@H](C(C7)=O)C)O)OC)=O)C)C)OC)O)=O)=O)=O)C)OC)=O
Molecular Formula
C93H141N11O23
Molecular Weight
1781.17
References & Citations
[1]Lee BJ, et al. Selective inhibitors of mTORC1 activate 4EBP1 and suppress tumor growth. Nat Chem Biol. 2021 Oct;17 (10) :1065-1074.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]butyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[4-[4-[(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]oxybutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CAS Number2250059-52-8
PubChem CID170458153
IUPAC NameN-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]butyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[4-[4-[(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]oxybutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Molecular FormulaC93H141N11O23
Molecular Weight1781.2
XLogP6.8
Topological Polar Surface Area424
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count29
Rotatable Bond Count45
Heavy Atom Count127
Formal Charge0
Complexity3370
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)OCCCCC5=CN(N=N5)CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCCN6C7=NC=NC(=C7C(=N6)C8=CC9=C(N8)C=CC(=C9)O)N)C)/C)O)OC)C)C)/C)OC
InChI
InChI=1S/C93H141N11O23/c1-62-20-12-11-13-21-63(2)79(114-8)58-73-27-24-68(7)93(113,127-73)88(110)91(111)103-32-17-14-23-76(103)92(112)126-80(59-77(106)64(3)53-67(6)86(109)87(116-10)85(108)66(5)52-62)65(4)54-69-25-29-78(81(55-69)115-9)125-35-19-15-22-71-60-102(101-99-71)34-37-118-39-41-120-43-45-122-47-49-124-51-50-123-48-46-121-44-42-119-40-38-117-36-30-82(107)95-31-16-18-33-104-90-83(89(94)96-61-97-90)84(100-104)75-57-70-56-72(105)26-28-74(70)98-75/h11-13,20-21,26,28,53,56-57,60-62,64-66,68-69,73,76,78-81,86-87,98,105,109,113H,14-19,22-25,27,29-52,54-55,58-59H2,1-10H3,(H,95,107)(H2,94,96,97)/b13-11-,20-12-,63-21-,67-53-/t62-,64-,65-,66-,68-,69+,73+,76+,78-,79+,80+,81-,86-,87+,93-/m1/s1
InChIKey
CDVMSFKGTWBIBF-SEEJUCJJSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]butyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[4-[4-[(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]oxybutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CAS: 2250059-52-8
CID: 170458153
Formula: C93H141N11O23
MW: 1781.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1781.2
XLogP36.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count29
Rotatable Bond Count45
Exact Mass1780.02017979
Monoisotopic Mass1780.02017979
Topological Polar Surface Area424 Ų
Heavy Atom Count127
Formal Charge0
Complexity3370
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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