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AV457

CAT: 0013-GTR19250382-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250382-01Size:50 mg
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Description
AV457 is a potent and selective mTOR inhibitor that effectively suppresses cyst growth in polycystic kidney disease (PKD) organoid models. It reduces phosphorylation of S6 and p70S6K without affecting P-AKT levels, making it a useful tool for studying mTORC1 signaling in PKD and cancer research.
CAS Number
2713387-11-0
Field of Research
Signal Transduction
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) O) C) /C) O) OC) C) C) /C) NS (=O) (=O) CCOCCOC
Molecular Formula
C55H88N2O16S
Molecular Weight
1065.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-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-30-yl]-2-(2-methoxyethoxy)ethanesulfonamide
CAS Number2713387-11-0
PubChem CID172677376
IUPAC NameN-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-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-30-yl]-2-(2-methoxyethoxy)ethanesulfonamide
Molecular FormulaC55H88N2O16S
Molecular Weight1065.4
XLogP5
Topological Polar Surface Area259
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Heavy Atom Count74
Formal Charge0
Complexity2100
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)O)C)/C)O)OC)C)C)/C)NS(=O)(=O)CCOCCOC
InChI
InChI=1S/C55H88N2O16S/c1-34-16-12-11-13-17-35(2)43(56-74(66,67)27-26-71-25-24-68-8)32-42-21-19-40(7)55(65,73-42)52(62)53(63)57-23-15-14-18-44(57)54(64)72-47(37(4)30-41-20-22-45(58)48(31-41)69-9)33-46(59)36(3)29-39(6)50(61)51(70-10)49(60)38(5)28-34/h11-13,16-17,29,34,36-38,40-45,47-48,50-51,56,58,61,65H,14-15,18-28,30-33H2,1-10H3/b13-11+,16-12+,35-17+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,44+,45-,47+,48-,50-,51+,55-/m1/s1
InChIKey
AKYWJAKPEWWISR-CJTOAYRTSA-N
Chemical Structure
2D Structure
2D structure of N-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19-methoxy-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-30-yl]-2-(2-methoxyethoxy)ethanesulfonamide
CAS: 2713387-11-0
CID: 172677376
Formula: C55H88N2O16S
MW: 1065.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight1065.4
XLogP35
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Exact Mass1064.58545590
Monoisotopic Mass1064.58545590
Topological Polar Surface Area259 Ų
Heavy Atom Count74
Formal Charge0
Complexity2100
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

Alternative Products

CatalogName
HY-168884AV457

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