Monomethyl Auristatin F

Basic Information

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CAS Number

745017-94-1

Molecular Formula

C39H65N5O8

Molecular Weight

731.98 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 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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CN[C@H](C(=O)N[C@H](C(=O)N(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@H](CC)C)C)C(C)C)C(C)C

InChI

InChI=1S/C39H65N5O8/c1-12-25(6)34(43(9)38(48)33(24(4)5)42-37(47)32(40-8)23(2)3)30(51-10)22-31(45)44-20-16-19-29(44)35(52-11)26(7)36(46)41-28(39(49)50)21-27-17-14-13-15-18-27/h13-15,17-18,23-26,28-30,32-35,40H,12,16,19-22H2,1-11H3,(H,41,46)(H,42,47)(H,49,50)/t25-,26+,28-,29-,30+,32-,33-,34-,35+/m0/s1

InChIKey

MFRNYXJJRJQHNW-DEMKXPNLSA-N

LogP

3.103600000000008

Topological Polar Surface Area

166.60999999999996 Å²

Hydrogen Bond Donor/Acceptor

4 / 13

Complexity

1160

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Monomethyl Auristatin F
MMAF
(2S)-2-[[(2R,3R)-3-methoxy-3-[(2S)-1-[(3R,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]butanoyl]amino]heptanoyl]pyrrolidin-2-yl]-2-methylpropanoyl]am
Monomethyl auristatin phenylalanine
(2S)-2-[[(2S,3R)-3-Methoxy-3-[(2S)-1-[(3R,4R,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[[(2S

MDL Number

MFCD25976742

FAQ

What regulatory guidelines apply to Monomethyl Auristatin F (CAS: 745017-94-1)?

Monomethyl Auristatin F (MMAF) is subject to various regulatory guidelines. In Europe, it must comply with REACH regulations. In the USA, it falls under the jurisdiction of the EPA and FDA, requiring compliance with Good Manufacturing Practices (GMP) and safety data sheets (SDS) for handling and transportation. Additionally, it should be managed according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), ensuring appropriate hazard communication and personal protective equipment (PPE) usage.

Are there alternatives to Monomethyl Auristatin F (CAS: 745017-94-1) in synthesis?

Monomethyl Auristatin F (MMAF) is a potent cytotoxic agent but alternatives such as monomethyl auristatin E (MMAE) and pyrrolobenzodiazepines (PBDs) are used in some synthesis processes. These alternatives offer similar anti-cancer properties and can be used as substitutes depending on the specific requirements of the synthesis and the desired pharmacological profile.

What is the market or research trend for Monomethyl Auristatin F (CAS: 745017-94-1)?

Monomethyl Auristatin F (MMAF) is increasingly being researched for its potential in cancer therapy, particularly in antibody-drug conjugates (ADCs). Market trends indicate a growing interest in personalized medicine, driving demand for MMAF and related compounds. Research is focusing on optimizing its therapeutic index and exploring new delivery methods to enhance efficacy and reduce side effects.

How should waste containing Monomethyl Auristatin F (CAS: 745017-94-1) be handled?

Waste containing Monomethyl Auristatin F (MMAF) must be handled with extreme caution due to its toxicity. It should be collected in appropriate containers, labeled with hazard warnings, and stored in a secure, well-ventilated area. Proper incineration or professional waste disposal services should be utilized. Environmental protection measures should include spill prevention, containment, and the use of certified waste disposal companies to ensure compliance with regulatory standards and environmental safety.