CL2A

CAT: 0013-GTR19232212-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19232212-01Size:100 mg

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Description

CL2A is a pH-sensitive, cleavable linker featuring a PEG8 spacer and a self-immolative PABC system, connected via a triazole moiety. It enables antibody-drug conjugation through a disulfide bond and is designed to release potent payloads with a bystander effect, as utilized in the ADC labetuzumab govitecan for targeted cancer therapy research.

CAS Number

1846605-04-6

Field of Research

Pharmacology & Drug Discovery

Smiles

C (C1CCC (C (NCC2=CN (CCOCCOCCOCCOCCOCCOCCOCCOCCNC (COCC (N[C@H] (C (NC3=CC=C (COC (O) =O) C=C3) =O) CCCCN) =O) =O) N=N2) =O) CC1) N4C (=O) C=CC4=O

Molecular Formula

C51H79N9O18

Molecular Weight

1106.22

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

[4-[[(2S)-6-amino-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]phenyl]methyl hydrogen carbonate

CAS Number	1846605-04-6
PubChem CID	139035094
IUPAC Name	[4-[[(2S)-6-amino-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]phenyl]methyl hydrogen carbonate
Molecular Formula	C51H79N9O18
Molecular Weight	1106.2
XLogP	-4.6
Topological Polar Surface Area	340
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	46
Heavy Atom Count	78
Formal Charge	0
Complexity	1740

SMILES

C1CC(CCC1CN2C(=O)C=CC2=O)C(=O)NCC3=CN(N=N3)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)COCC(=O)N[C@@H](CCCCN)C(=O)NC4=CC=C(C=C4)COC(=O)O

InChI

InChI=1S/C51H79N9O18/c52-14-2-1-3-44(50(66)55-42-10-6-40(7-11-42)36-78-51(67)68)56-46(62)38-77-37-45(61)53-15-17-69-19-21-71-23-25-73-27-29-75-31-32-76-30-28-74-26-24-72-22-20-70-18-16-59-35-43(57-58-59)33-54-49(65)41-8-4-39(5-9-41)34-60-47(63)12-13-48(60)64/h6-7,10-13,35,39,41,44H,1-5,8-9,14-34,36-38,52H2,(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,67,68)/t39?,41?,44-/m0/s1

InChIKey

ROPNJQCXVPLRBE-DBSIFAAZSA-N

Chemical Structure

2D Structure

CAS: 1846605-04-6

CID: 139035094

Formula: C51H79N9O18

MW: 1106.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1106.2
XLogP3	-4.6
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	46
Exact Mass	1105.55430670
Monoisotopic Mass	1105.55430670
Topological Polar Surface Area	340 Å²
Heavy Atom Count	78
Formal Charge	0
Complexity	1740
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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GTR19245904-01	Pd (Xantphos) Cl2
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GTR19244938-01	[Rh (Cp-) Cl2]2
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GTR19273696-01	DIM-3,5-Cl2
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Alternative Products

Catalog	Name
MBS3842860-01	CL2A
T205789-01	CL2A-Chimmitecan
T205100-01	CL2A-FL118
A18396-5	CL2A 5mg
ADC-S-019	CL2A-SN38
HY-128945A-01	CL2A (TFA)
A18396-1	CL2A 1mg
HY-160825	CL2A acid
A18396-10	CL2A 10mg
MBS132997	CL2A-SN-38

CL2A

Chemical Information

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