C004019

CAT: 0013-GTR19211807-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19211807-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

C004019 is a small molecule PROTAC that selectively recruits tau and the VHL E3 ligase to induce tau ubiquitination and degradation. This candidate is used in research models of Alzheimer's disease and related tauopathies to study targeted protein clearance in cellular and in vivo systems.

CAS Number

2417159-57-8

Product Name Alternative

C004019, C-004019, C 004019, MicrotubuleAssociated, Microtubule Associated, PROTAC, tau

Field of Research

Pharmacology & Drug Discovery, Signal Transduction

Purity

99.37% (May vary between batches)

Solubility

DMSO:255 mg/mL (246.31 mM)

Smiles

N (CC (NCCOCCOCCOCC (N[C@H] (C (=O) N1[C@@H] (C (NCC2=CC=C (C=C2) C3=C (C) N=CS3) =O) C[C@H] (O) C1) C (C) (C) C) =O) =O) (C) C4=NC (=NC (NCCC5=CC=CS5) =N4) N6CCN (C (C) =O) CCC6

Molecular Formula

C49H70N12O9S2

Molecular Weight

1035.29

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

(2R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

CAS Number	2417159-57-8
PubChem CID	164889480
IUPAC Name	(2R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Molecular Formula	C49H70N12O9S2
Molecular Weight	1035.3
XLogP	3.5
Topological Polar Surface Area	302
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	26
Heavy Atom Count	72
Formal Charge	0
Complexity	1720

SMILES

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCNC(=O)CN(C)C4=NC(=NC(=N4)N5CCCN(CC5)C(=O)C)NCCC6=CC=CS6)O

InChI

InChI=1S/C49H70N12O9S2/c1-33-42(72-32-53-33)36-12-10-35(11-13-36)28-52-44(66)39-27-37(63)29-61(39)45(67)43(49(3,4)5)54-41(65)31-70-25-24-69-23-22-68-21-16-50-40(64)30-58(6)47-55-46(51-15-14-38-9-7-26-71-38)56-48(57-47)60-18-8-17-59(19-20-60)34(2)62/h7,9-13,26,32,37,39,43,63H,8,14-25,27-31H2,1-6H3,(H,50,64)(H,52,66)(H,54,65)(H,51,55,56,57)/t37-,39+,43+/m0/s1

InChIKey

IXTMPMLKABNFTQ-LLIFGLRNSA-N

Chemical Structure

2D Structure

CAS: 2417159-57-8

CID: 164889480

Formula: C49H70N12O9S2

MW: 1035.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1035.3
XLogP3	3.5
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	26
Exact Mass	1034.48301420
Monoisotopic Mass	1034.48301420
Topological Polar Surface Area	302 Å²
Heavy Atom Count	72
Formal Charge	0
Complexity	1720
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

Alternative Products

Catalog	Name
HY-138669-01	C004019

C004019

Chemical Information

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