Val-Cit-PAB-MMAE

Name: Val-Cit-PAB-MMAE
Brand: ChemScene
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CAS No. 644981-35-1
Cat. No. CS-5780
Purity≥98%
MDL No.MFCD30377205

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 644981-35-1

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General Information

CAS No. 644981-35-1
Cat. No. CS-5780
Purity ≥98%
MDL No. MFCD30377205
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅₈H₉₄N₁₀O₁₂
Molecular Weight 1123.43
Synonym(s) None
SMILES CC[C@H](C)[C@@H]([C@@H](CC(N1[C@@H](CCC1)[C@@H]([C@@H](C)C(N[C@H](C)[C@@H](O)C2=CC=CC=C2)=O)OC)=O)OC)N(C([C@H](C(C)C)NC([C@H](C(C)C)N(C(OCC3=CC=C(NC([C@H](CCCNC(N)=O)NC([C@H](C(C)C)N)=O)=O)C=C3)=O)C)=O)=O)C

Description

Val-Cit-PAB-MMAE is a cleavable peptide linker conjugated to the potent cytotoxic agent MMAE, designed for antibody-drug conjugate (ADC) applications. This construct features a valine-citrulline dipeptide that enables selective intracellular cleavage by cathepsin B, releasing active MMAE within target cells. The PAB spacer enhances stability in circulation while ensuring efficient payload release. The structure combines high potency with controlled delivery, enabling targeted cancer therapy with reduced off-target effects.

Application

Val-Cit-PAB-MMAE serves as a cleavable linker-payload construct in antibody-drug conjugates, enabling site-specific delivery of the potent cytotoxic agent MMAE. The Val-Cit dipeptide facilitates protease-mediated cleavage in lysosomal environments, while the PAB spacer ensures efficient release of active MMAE. This structure combines stability in circulation with controlled intracellular activation, supporting effective tumor targeting and therapeutic efficacy in preclinical models.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H302
Precautionary Statements : P264-P270-P280-P301+P310-P302+P352-P305+P351+P338-P330-P332+P313-P337+P313-P362+P364-P501

Quality Control

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Computational Chemistry Data

TPSA 306.39
LogP 4.4341
H_Acceptors 13
H_Donors 8
Rotatable_Bonds 31

Other Classifications

Life Science ADC Related Compound Linker-Payload Conjugates

Building Blocks Functional Group Amine

Building Blocks Functional Group Alcohol

Building Blocks Functional Group Ether

Building Blocks Functional Group Urea

Building Blocks Functional Group Amide

Building Blocks Functional Group Ester

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Chemical Biology Pharmaceutical Development and Drug Discovery Research Reagents Antibody-Drug Conjugates (ADC) Preparation Research Reagents Payload (Drug) Candidates

Biochemistry Pharmaceutical Development and Drug Discovery Research Antibody-Drug Conjugates (ADC) Preparation Research Reagents Payload (Drug) Candidates

Biochemistry Biochemicals and Reagents Antibody-Drug Conjugates (ADC) Preparation Research Reagents Payload (Drug) Candidates

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Val-Cit-PAB-MMAE

CAS No. 644981-35-1

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