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AV457

CAT: 0931-T204285-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204285-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2713387-11-0
Target
MTOR
Related Pathways
PI3K/Akt/mTOR signaling
Bioactivity
AV457 is a potent and selective inhibitor of mTOR. It effectively suppresses cyst growth in polycystic kidney disease (PKD) organoids. AV457 reduces the protein expression of P-s6 and P-p70s6, but it does not decrease the protein expression of P-AKT.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
View on PubChemRaw 3D data
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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