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Purity: ≥98%
MC-Val-Cit-PAB is a novel cathepsin cleavable ADC linker that is utilized for the synthesis of antibody-drug conjugate (ADC) such as some of the FDA approved ADC drugs including brentuximab vedotin. The mechanism is like this: the Val-Cit will specifically be cleaved by catepsin B as this enzyme is only present in the lysosome, the ADC warhead/payload (the drug) will be released in the cell. The Azido group will react with DBCO, BCN or other Alkyne groups through click chemistry. The hydrophilic PEG spacer increases solubility in aqueous media.
| Targets |
Protease Cleavable Linker
Cleavable Linker |
|---|---|
| References |
| Molecular Formula |
C28H40N6O7
|
|---|---|
| Molecular Weight |
572.6532
|
| Exact Mass |
572.296
|
| Elemental Analysis |
C, 58.73; H, 7.04; N, 14.68; O, 19.56
|
| CAS # |
159857-80-4
|
| Related CAS # |
MC-Val-Cit-PAB;159857-80-4
|
| PubChem CID |
57544445
|
| Appearance |
White to yellow solid powder
|
| Density |
1.276
|
| LogP |
3.273
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| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
17
|
| Heavy Atom Count |
41
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| Complexity |
944
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
O=C([C@]([H])(C([H])(C([H])([H])[H])C([H])([H])[H])N([H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1C(C([H])=C([H])C1=O)=O)=O)N([H])[C@]([H])(C(N([H])C1C([H])=C([H])C(C([H])([H])O[H])=C([H])C=1[H])=O)C([H])([H])C([H])([H])C([H])([H])N([H])C(N([H])[H])=O
|
| InChi Key |
AMKBTTRWLGVRER-OFVILXPXSA-N
|
| InChi Code |
InChI=1S/C28H40N6O7/c1-18(2)25(33-22(36)8-4-3-5-16-34-23(37)13-14-24(34)38)27(40)32-21(7-6-15-30-28(29)41)26(39)31-20-11-9-19(17-35)10-12-20/h9-14,18,21,25,35H,3-8,15-17H2,1-2H3,(H,31,39)(H,32,40)(H,33,36)(H3,29,30,41)/t21-,25-/m0/s1
|
| Chemical Name |
N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
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| Synonyms |
MC-Val-Cit-PAB; MC-Val-Cit-PAB-OH; MC-Val-Cit-PABC; MC-Val-Cit-PABC-OH;
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| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~174.63 mM)
|
|---|---|
| Solubility (In Vivo) |
10% DMSO+ 40% PEG300+ 5% Tween-80+ 45% Saline: ≥ 5.5 mg/mL (9.60 mM) (Please use freshly prepared in vivo formulations for optimal results.)
|
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7463 mL | 8.7313 mL | 17.4627 mL | |
| 5 mM | 0.3493 mL | 1.7463 mL | 3.4925 mL | |
| 10 mM | 0.1746 mL | 0.8731 mL | 1.7463 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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