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AUTAC2

CAT: 0804-HY-134184-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-134184-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AUTAC2 is a FKBP12-targeting autophagy-mediated degrader (AUTAC) . AUTAC2 contains an FBnG (p-Fluorobenzyl Guanine) and an SLF (c ligand of FKBP) moiety. SLF binds non-covalently to FKBP12[1].
CAS Number
2241669-08-7
UNSPSC
12352005
Target
AUTACs; Autophagy
Type
Reference compound
Related Pathways
Autophagy; PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/autac2.html
Purity
95.04
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C([C@@H](NC(C)=O)CSC1=NC2=C(N=C(N)NC2=O)N1CC3=CC=C(F)C=C3)NCCCOCCOCCOCCCNC(CCC(NC4=CC=CC([C@@H](CCC5=CC=C(OC)C(OC)=C5)OC([C@@H]6CCCCN6C(C(C(C)(CC)C)=O)=O)=O)=C4)=O)=O
Molecular Formula
C61H81FN10O14S
Molecular Weight
1229.42
References & Citations
[1]Daiki Takahashi, et al. AUTACs: Cargo-Specific Degraders Using Selective Autophagy. Mol Cell. 2019 Dec 5;76 (5) :797-810.e10.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Autac2
CAS Number2241669-08-7
PubChem CID162679254
IUPAC Name[(1R)-1-[3-[[4-[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]propylamino]-4-oxobutanoyl]amino]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
Molecular FormulaC61H81FN10O14S
Molecular Weight1229.4
XLogP4.5
Topological Polar Surface Area337
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count37
Heavy Atom Count87
Formal Charge0
Complexity2270
SMILES
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)[C@H](CSC4=NC5=C(N4CC6=CC=C(C=C6)F)N=C(NC5=O)N)NC(=O)C
InChI
InChI=1S/C61H81FN10O14S/c1-7-61(3,4)53(76)57(79)71-28-9-8-15-46(71)58(80)86-47(22-18-40-19-23-48(81-5)49(35-40)82-6)42-13-10-14-44(36-42)67-51(75)25-24-50(74)64-26-11-29-83-31-33-85-34-32-84-30-12-27-65-55(77)45(66-39(2)73)38-87-60-68-52-54(69-59(63)70-56(52)78)72(60)37-41-16-20-43(62)21-17-41/h10,13-14,16-17,19-21,23,35-36,45-47H,7-9,11-12,15,18,22,24-34,37-38H2,1-6H3,(H,64,74)(H,65,77)(H,66,73)(H,67,75)(H3,63,69,70,78)/t45-,46-,47+/m0/s1
InChIKey
PZCJWAJPLITJCB-YQZOKAAQSA-N
Chemical Structure
2D Structure
2D structure of Autac2
CAS: 2241669-08-7
CID: 162679254
Formula: C61H81FN10O14S
MW: 1229.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1229.4
XLogP34.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count37
Exact Mass1228.56384663
Monoisotopic Mass1228.56384663
Topological Polar Surface Area337 Ų
Heavy Atom Count87
Formal Charge0
Complexity2270
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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