Products for Research Use Only
RegisterLogin

AUTAC1

CAT: 0931-T74025Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T74025Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2241669-09-8
Target
Autophagy, AUTACs
Related Pathways
PROTAC, Autophagy
Purity
0.9945
Bioactivity
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.
Smiles
C[C@@]1([C@@]2([C@@]3(CO3)CC[C@@H](OC(NCCCOCCOCCOCCCNC([C@H](CSC=4N(CC5=CC=C(F)C=C5)C6=C(N4)C(=O)N=C(N)N6)NC(C)=O)=O)=O)[C@H]2OC)[H])[C@H](CC=C(C)C)O1
Molecular Formula
C44H63FN8O11S
Molecular Weight
931.08
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T74026-01AUTAC2
T37592-01AUTAC4
T211111-01GPX4-AUTAC
T5183-01AUT1

Alternative Products

CatalogName
BA3648-1AUTAC1

Popular Products