VcMMAE | CAS No. 646502-53-6

VcMMAE

Basic Information

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CAS Number

646502-53-6

Molecular Formula

C68H105N11O15

Molecular Weight

1316.65 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

Boiling Point

1347.6±65.0°C at 760 mmHg

SMILES

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CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](c2ccccc2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCc3ccc(cc3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN4C(=O)C=CC4=O

InChI

InChI=1S/C68H105N11O15/c1-15-43(8)59(51(92-13)38-55(83)78-37-23-27-50(78)61(93-14)44(9)62(85)71-45(10)60(84)47-24-18-16-19-25-47)76(11)66(89)57(41(4)5)75-65(88)58(42(6)7)77(12)68(91)94-39-46-29-31-48(32-30-46)72-63(86)49(26-22-35-70-67(69)90)73-64(87)56(40(2)3)74-52(80)28-20-17-21-36-79-53(81)33-34-54(79)82/h16,18-19,24-25,29-34,40-45,49-51,56-61,84H,15,17,20-23,26-28,35-39H2,1-14H3,(H,71,85)(H,72,86)(H,73,87)(H,74,80)(H,75,88)(H3,69,70,90)/t43-,44+,45+,49-,50-,51+,56-,57-,58-,59-,60+,61+/m0/s1

InChIKey

NLMBVBUNULOTNS-HOKPPMCLSA-N

LogP

5.077000000000015

Topological Polar Surface Area

346.8499999999999 Å²

Hydrogen Bond Donor/Acceptor

9 / 26

Complexity

2520

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

VcMMAE
MC-VC-PAB-MMAE
Val-cit-pab-mmae
Vc-MMAE
Maleimidocaproyl-valine-citrulline-p-aminobenzyloxycarbonyl monomethylauristatin E
4147AH
C68H105N11O15
AK187613
MC-VC-PAB-MMAE,MC-Val-Cit-PAB-MMAE
A14362

MDL Number

MFCD25372036

FAQ

What regulatory guidelines apply to VcMMAE (CAS: 646502-53-6)?

VcMMAE (CAS: 646502-53-6) is subject to various regulatory guidelines. In terms of health and safety, it is important to follow the guidelines set by the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). For registration and notification, the European Union's Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulations apply. Additionally, the U.S. Food and Drug Administration (FDA) and the Environmental Protection Agency (EPA) may have specific requirements for the handling, storage, and disposal of this compound.

Are there alternatives to VcMMAE in synthesis (CAS: 646502-53-6)?

For synthesizing similar functionalities, there are several alternative reagents and methods that can be considered. For instance, biacetyl methyl amine ester (BAAME) and other related compounds can serve as effective alternatives. It is important to choose an alternative that meets the desired chemical properties and is compatible with the overall synthesis process.

What is the market or research trend for VcMMAE (CAS: 646502-53-6)?

The market for VcMMAE (CAS: 646502-53-6) is currently growing, driven by increasing research in its application in pharmaceuticals and coatings. Recent trends suggest a focus on developing new formulations and applications that leverage its unique properties. Research is also exploring its potential in biocatalysis and as a precursor in organic synthesis.

How should waste containing VcMMAE (CAS: 646502-53-6) be handled?

Waste containing VcMMAE (CAS: 646502-53-6) should be managed carefully to ensure environmental safety. Proper collection and storage are essential. For disposal, it is recommended to use professional waste disposal services that specialize in chemical waste management. Incineration or chemical neutralization methods can be used, and appropriate measures should be taken to prevent any environmental contamination. Always refer to local regulations and environmental protection guidelines for specific handling procedures.