DCG04

CAT: 0013-GTR19224385-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19224385-01Size:2 mg

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Description

DCG-04 is an activity-based probe targeting cysteine cathepsins, enabled by its multivalent ligand affinity for the mannose-6-phosphate receptor for endolysosomal delivery. This property facilitates its application in studying protease activity and receptor-mediated trafficking in both in vitro and in vivo experimental models.

CAS Number

314263-42-8

Field of Research

Metabolism Research

Smiles

[H][C@]12CS[C@@H] (CCCCC (=O) NCCCC[C@H] (NC (=O) CCCCCNC (=O) [C@H] (Cc3ccc (O) cc3) NC (=O) [C@H] (CC (C) C) NC (=O) [C@H]3O[C@@H]3C (=O) OCC) C (N) =O) [C@@]1 ([H]) NC (=O) N2

Molecular Formula

C43H66N8O11S

Molecular Weight

903.11

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

CID 71296083

CAS Number	314263-42-8
PubChem CID	71296083
IUPAC Name	ethyl 3-[[(2S)-1-[[(2S)-1-[[6-[[(2S)-1-amino-1-oxo-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexan-2-yl]amino]-6-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
Molecular Formula	C43H66N8O11S
Molecular Weight	903.1
XLogP	1.8
Topological Polar Surface Area	314
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Heavy Atom Count	63
Formal Charge	0
Complexity	1560

SMILES

CCOC(=O)C1C(O1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCCCCCC(=O)N[C@@H](CCCCNC(=O)CCCCC3C4C(CS3)NC(=O)N4)C(=O)N

InChI

InChI=1S/C43H66N8O11S/c1-4-61-42(59)37-36(62-37)41(58)49-29(22-25(2)3)40(57)48-30(23-26-16-18-27(52)19-17-26)39(56)46-21-10-5-6-15-34(54)47-28(38(44)55)12-9-11-20-45-33(53)14-8-7-13-32-35-31(24-63-32)50-43(60)51-35/h16-19,25,28-32,35-37,52H,4-15,20-24H2,1-3H3,(H2,44,55)(H,45,53)(H,46,56)(H,47,54)(H,48,57)(H,49,58)(H2,50,51,60)/t28-,29-,30-,31?,32?,35?,36?,37?/m0/s1

InChIKey

MHOVYDVXSWUHAZ-NNBHGYTGSA-N

Chemical Structure

2D Structure

CAS: 314263-42-8

CID: 71296083

Formula: C43H66N8O11S

MW: 903.1

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	903.1
XLogP3	1.8
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Exact Mass	902.45717612
Monoisotopic Mass	902.45717612
Topological Polar Surface Area	314 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1560
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
TRC-D195170-100MG	DCG04
HY-101779A	DCG04 isomer-1

DCG04

Chemical Information

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