MC-Val-Cit-PAB-MMAF

Basic Information

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CAS Number

863971-17-9

Molecular Formula

C68H103N11O16

Molecular Weight

1330.61 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C(=O)OCc1ccc(cc1)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)CCCCCN1C(=O)C=CC1=O)CCCNC(=O)N)C)C(C)C)C)[C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OC)OC)C

InChI

InChI=1S/C68H103N11O16/c1-14-43(8)59(51(93-12)38-55(83)78-36-22-26-50(78)60(94-13)44(9)61(84)73-49(66(89)90)37-45-23-17-15-18-24-45)76(10)65(88)57(41(4)5)75-64(87)58(42(6)7)77(11)68(92)95-39-46-28-30-47(31-29-46)71-62(85)48(25-21-34-70-67(69)91)72-63(86)56(40(2)3)74-52(80)27-19-16-20-35-79-53(81)32-33-54(79)82/h15,17-18,23-24,28-33,40-44,48-51,56-60H,14,16,19-22,25-27,34-39H2,1-13H3,(H,71,85)(H,72,86)(H,73,84)(H,74,80)(H,75,87)(H,89,90)(H3,69,70,91)/t43-,44+,48-,49-,50-,51+,56-,57-,58-,59-,60+/m0/s1

InChIKey

BDITVJHHJUTHBB-DNIGJBFUSA-N

LogP

4.650800000000004

Topological Polar Surface Area

363.92 Å²

Hydrogen Bond Donor/Acceptor

9 / 27

Complexity

2590

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Val-cit-pab-mmaf
MC-VC-PAB-MMAF
MC-Val-Cit-PAB-MMAF
2-[[3-[1-[4-[[2-[[2-[[4-[[5-(Carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylb

MDL Number

MFCD28398145

FAQ

What is MC-Val-Cit-PAB-MMAF (CAS: 863971-17-9)?

MC-Val-Cit-PAB-MMAF is a cytotoxic compound used in immunoconjugates for targeted cancer therapy. It has a complex structure with a payload of maytansinoid MMAF linked to a carrier peptide. It is not for general use and is primarily used in research and clinical applications.

What are the main uses of MC-Val-Cit-PAB-MMAF (CAS: 863971-17-9)?

MC-Val-Cit-PAB-MMAF is primarily used in the development and production of immunoconjugates for targeted cancer therapy. It is used in research and clinical trials to deliver cytotoxic payloads to cancer cells while minimizing damage to healthy cells.

Is MC-Val-Cit-PAB-MMAF (CAS: 863971-17-9) safe?

MC-Val-Cit-PAB-MMAF is not considered safe for general use due to its cytotoxic nature. Proper handling and use under laboratory conditions with appropriate protective measures are essential to ensure safety.

How should MC-Val-Cit-PAB-MMAF (CAS: 863971-17-9) be stored?

MC-Val-Cit-PAB-MMAF should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in an airtight container to prevent degradation. Optimal storage conditions are 2-8°C (35-46°F).