Auristatin F | CAS No. 163768-50-1

Auristatin F

Basic Information

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CAS Number

163768-50-1

Molecular Formula

C40H67N5O8

Molecular Weight

745.99 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

Physical State

White to Off-White

Melting Point

>140°C (dec.)

Boiling Point

894.4±65.0 °C(Predicted)

Density

1.112±0.06 g/cm3(Predicted)

Solubility

DMSO (Slightly), Methanol (Slightly, Heated)

SMILES

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CC[C@@H]([C@H](N(C(=O)[C@H](C(C)C)NC(=O)[C@@H](N(C)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/C40H67N5O8/c1-13-26(6)35(44(10)39(49)33(24(2)3)42-38(48)34(25(4)5)43(8)9)31(52-11)23-32(46)45-21-17-20-30(45)36(53-12)27(7)37(47)41-29(40(50)51)22-28-18-15-14-16-19-28/h14-16,18-19,24-27,29-31,33-36H,13,17,20-23H2,1-12H3,(H,41,47)(H,42,48)(H,50,51)/t26-,27+,29-,30-,31+,33-,34-,35-,36+/m0/s1

InChIKey

LGNCNVVZCUVPOT-FUVGGWJZSA-N

LogP

3.44580000000001

pKa

3.56±0.10(Predicted)

Topological Polar Surface Area

157.81999999999996 Å²

Hydrogen Bond Donor/Acceptor

3 / 13

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Stability

Hygroscopic

Synonyms & References

English

Auristatin F
N,N-Dimethyl-L-valyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl}-3-methoxy-5-methyl-1-oxo-4-heptanyl]-N-methyl-L-valinamide
Auristantin F
CS-1370
Auristatin F TFA Salt
L-Phenylalanine, N,N-dimethyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-
Auristatin F （AF）
(S)-2-((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-(Dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanamido)-3-phenylpropanoic acid
auristatin F
;;; Auristatin F
((2R,3R)-3-((S)-1-((3R,4S,5S)-4-((S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N,3-dimethylbutanamido)-3-methoxy-5-methylheptanoyl)pyrrolidin-2-yl)-3-methoxy-2-methylpropanoyl)-L-phenylalanine

MDL Number

MFCD25976745

FAQ

What regulatory guidelines apply to Auristatin F (CAS: 163768-50-1)?

Auristatin F (CAS: 163768-50-1) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). In the European Union, it falls under the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations. In the USA, it is regulated by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) for drug development and manufacturing purposes. Specific handling, storage, and disposal guidelines should be followed based on these regulations.

Are there alternatives to Auristatin F (CAS: 163768-50-1) in synthesis?

There are several alternatives to Auristatin F (CAS: 163768-50-1) in synthesis, including auristatin E and auristatin P. These analogs offer similar therapeutic properties and can be used as substitutes in various drug development processes. Common alternative reagents used in synthesis include various amino acids and linker compounds, depending on the specific requirements of the chemical structure being synthesized.

What is the market or research trend for Auristatin F (CAS: 163768-50-1)?

The market for Auristatin F (CAS: 163768-50-1) is driven by its use in cancer treatment, particularly in the development of antibody-drug conjugates (ADCs). Research trends are focusing on improving the efficacy and reducing side effects of ADCs containing Auristatin F. Additionally, there is increasing interest in optimizing the synthesis and delivery methods of Auristatin F-based therapeutics, driven by advancements in medicinal chemistry and biotechnology.

How should waste containing Auristatin F (CAS: 163768-50-1) be handled?

Waste containing Auristatin F (CAS: 163768-50-1) should be managed according to environmental and safety regulations. Proper waste collection and disposal methods should be employed, such as using appropriate containers and ensuring the liquid is neutralized before disposal. Incineration is a common method for disposing of this waste, and professional waste disposal services should be utilized to ensure compliance with regulatory requirements. Environmental protection precautions, including the use of personal protective equipment and proper labeling, should be observed during handling and disposal.