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AUTAC1

CAT: 1410-M36576-01Size: 1 EachDry Ice: NoHazardous: No
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Description
AUTAC1 is a MetAP2-targeted autophagy-mediated degrader (AUTAC) with potential anticancer activity that degrades MetAP2 and FKBP12 proteins and can be used to synthesize PROTAC.
CAS Number
2241669-09-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
931.08
Molecular Formula
C44H63FN8O11S
Notes
Research use only, not for human use.
Receptor
AUTACs

Chemical Information

Autac1
CAS Number2241669-09-8
PubChem CID147878433
IUPAC Name[(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] N-[3-[2-[2-[3-[[(2R)-2-acetamido-3-[[2-amino-9-[(4-fluorophenyl)methyl]-6-oxo-1H-purin-8-yl]sulfanyl]propanoyl]amino]propoxy]ethoxy]ethoxy]propyl]carbamate
Molecular FormulaC44H63FN8O11S
Molecular Weight931.1
XLogP2.2
Topological Polar Surface Area269
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count27
Heavy Atom Count65
Formal Charge0
Complexity1670
SMILES
CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CSC4=NC5=C(N4CC6=CC=C(C=C6)F)N=C(NC5=O)N)NC(=O)C)OC)C
InChI
InChI=1S/C44H63FN8O11S/c1-27(2)8-13-33-43(4,64-33)36-35(58-5)32(14-15-44(36)26-62-44)63-42(57)48-17-7-19-60-21-23-61-22-20-59-18-6-16-47-38(55)31(49-28(3)54)25-65-41-50-34-37(51-40(46)52-39(34)56)53(41)24-29-9-11-30(45)12-10-29/h8-12,31-33,35-36H,6-7,13-26H2,1-5H3,(H,47,55)(H,48,57)(H,49,54)(H3,46,51,52,56)/t31-,32+,33+,35+,36+,43-,44-/m0/s1
InChIKey
HZYVWSXXYHBZTO-KDJNBPRZSA-N
Chemical Structure
2D Structure
2D structure of Autac1
CAS: 2241669-09-8
CID: 147878433
Formula: C44H63FN8O11S
MW: 931.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight931.1
XLogP32.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count27
Exact Mass930.43210419
Monoisotopic Mass930.43210419
Topological Polar Surface Area269 Ų
Heavy Atom Count65
Formal Charge0
Complexity1670
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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CatalogName
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