WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 408124

CAS#: 644981-35-1

Description: Val-Cit-PAB-MMAE is a MMAE derivative with a cleavable linker, which is useful to make MMAE conjugate for ADC. Val-Cit-PAB-MMAE contains the ADCs linker (peptide Val-Cit-PAB) and a potent tubulin inhibitor MMAE. MMAE a potent mitotic inhibitor by inhibiting tubulin polymerization.

Chemical Structure

CAS# 644981-35-1

Theoretical Analysis

MedKoo Cat#: 408124
Name: Val-Cit-PAB-MMAE
CAS#: 644981-35-1
Chemical Formula: C58H94N10O12
Exact Mass: 1122.7053
Molecular Weight: 1123.448
Elemental Analysis: C, 62.01; H, 8.43; N, 12.47; O, 17.09

Price and Availability

Size Price Availability Quantity
1.0mg USD 150.0 Ready to ship
5.0mg USD 450.0 Ready to ship
10.0mg USD 750.0 Ready to ship
25.0mg USD 1650.0 Ready to ship
50.0mg USD 2650.0 Ready to ship
100.0mg USD 3850.0 Ready to ship
200.0mg USD 6450.0 Ready to ship
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Synonym: Val-Cit-PAB-MMAE; MMAE ADC conjugate; N-PM-0008; N-PM 0008; N-PM0008; NPM-0008; NPM 0008; NPM0008;

IUPAC/Chemical Name: 4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate


InChi Code: InChI=1S/C58H94N10O12/c1-15-36(8)49(44(78-13)31-45(69)68-30-20-24-43(68)51(79-14)37(9)52(71)62-38(10)50(70)40-21-17-16-18-22-40)66(11)56(75)47(34(4)5)65-55(74)48(35(6)7)67(12)58(77)80-32-39-25-27-41(28-26-39)63-53(72)42(23-19-29-61-57(60)76)64-54(73)46(59)33(2)3/h16-18,21-22,25-28,33-38,42-44,46-51,70H,15,19-20,23-24,29-32,59H2,1-14H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H3,60,61,76)/t36-,37+,38+,42-,43-,44+,46-,47-,48-,49-,50+,51+/m0/s1

SMILES Code: 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

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Product Data:

Biological target: Val-Cit-PAB-MMAE is a drug-linker conjugate for ADC and potent tubulin inhibitor MMAE (HY-15162).
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
DMSO 50.0 44.5

Preparing Stock Solutions

The following data is based on the product molecular weight 1123.448 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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14: Yaghoubi S, Gharibi T, Karimi MH, Sadeqi Nezhad M, Seifalian A, Tavakkol R, Bagheri N, Dezhkam A, Abdollahpour-Alitappeh M. Development and biological assessment of MMAE-trastuzumab antibody-drug conjugates (ADCs). Breast Cancer. 2020 Sep 5. doi: 10.1007/s12282-020-01153-5. Epub ahead of print. PMID: 32889587.

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