AUTAC2

CAT: 0013-GTR19221646-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19221646-01Size:1 mg

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Description

AUTAC2 is an autophagy-targeting chimera (AUTAC) designed to degrade FKBP12. Its structure combines an FBnG tag with an SLF ligand that binds FKBP12, enabling targeted protein degradation via the autophagy pathway for research in cellular and biochemical studies.

CAS Number

2241669-08-7

Field of Research

Cell Biology, Pharmacology & Drug Discovery, Signal Transduction

Purity

99.93% (May vary between batches)

Smiles

C (N1C2=C (N=C1SC[C@@H] (C (NCCCOCCOCCOCCCNC (CCC (NC3=CC ([C@H] (OC (=O) C4N (C (C (C (CC) (C) C) =O) =O) CCCC4) CCC5=CC (OC) =C (OC) C=C5) =CC=C3) =O) =O) =O) NC (C) =O) C (=O) N=C (N) N2) C6=CC=C (F) C=C6

Molecular Formula

C61H81FN10O14S

Molecular Weight

1229.42

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Autac2

CAS Number	2241669-08-7
PubChem CID	162679254
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 Formula	C61H81FN10O14S
Molecular Weight	1229.4
XLogP	4.5
Topological Polar Surface Area	337
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	37
Heavy Atom Count	87
Formal Charge	0
Complexity	2270

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

CAS: 2241669-08-7

CID: 162679254

Formula: C61H81FN10O14S

MW: 1229.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1229.4
XLogP3	4.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	37
Exact Mass	1228.56384663
Monoisotopic Mass	1228.56384663
Topological Polar Surface Area	337 Å²
Heavy Atom Count	87
Formal Charge	0
Complexity	2270
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
BA3651-1	AUTAC2
HY-163127-01	AUTAC2-2G

AUTAC2

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