(2S,4R)-4-{[(2-{(1R,3R)-1-Acetoxy-4-methyl-3-[{[(3-methylbutanoyl)oxy]methyl}(N-{[(2R)-1-methyl-2-piperidinyl]carbonyl}-L-alloisoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-5-(4-hydroxypheny l)-2-methylpentanoic acid | CAS No. 205304-86-5

(2S,4R)-4-{[(2-{(1R,3R)-1-Acetoxy-4-methyl-3-[{[(3-methylbutanoyl)oxy]methyl}(N-{[(2R)-1-methyl-2-piperidinyl]carbonyl}-L-alloisoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-5-(4-hydroxypheny l)-2-methylpentanoic acid

Basic Information

CAS Number

205304-86-5

Molecular Formula

C43H65N5O10S

Molecular Weight

844.08 g/mol

AD

Basic Physical Properties

Solubility

organic solvents: soluble

O=C(N([C@H](C[C@@H](OC(C)=O)C1=NC(C(N[C@@H](CC2=CC=C(C=C2)O)C[C@@H](C(O)=O)C)=O)=CS1)C(C)C)COC(CC(C)C)=O)[C@@]([H])(NC([C@H]3CCCCN3C)=O)[C@H](CC)C

InChI

InChI=1S/C43H65N5O10S/c1-10-27(6)38(46-40(53)34-13-11-12-18-47(34)9)42(54)48(24-57-37(51)19-25(2)3)35(26(4)5)22-36(58-29(8)49)41-45-33(23-59-41)39(52)44-31(20-28(7)43(55)56)21-30-14-16-32(50)17-15-30/h14-17,23,25-28,31,34-36,38,50H,10-13,18-22,24H2,1-9H3,(H,44,52)(H,46,53)(H,55,56)/t27-,28+,31-,34-,35-,36-,38+/m1/s1

InChIKey

IBEDDHUHZBDXGB-AHVLMTIQSA-N

LogP

5.710100000000005

Topological Polar Surface Area

204.76999999999998 Ų

Hydrogen Bond Donor/Acceptor

4 / 15

Synonyms & References

English

  • Tubulysin A
  • (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydr
  • TubA
  • Tubulysin M

FAQ

What is (2S,4R)-4-{[(2-{(1R,3R)-1-Acetoxy-4-methyl-3-[{[(3-methylbutanoyl)oxy]methyl}(N-{[(2R)-1-methyl-2-piperidinyl]carbonyl}-L-alloisoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-5-(4-hydroxyphenyl)-2-methylpentanoic acid (CAS: 205304-86-5)?

This compound is a complex organic acid with a unique structure, including acetoxy, methyl, and thiazole groups. It exhibits properties typical of carboxylic acids and is used in pharmaceutical research for its potential therapeutic applications.

What are the main uses of (2S,4R)-4-{[(2-{(1R,3R)-1-Acetoxy-4-methyl-3-[{[(3-methylbutanoyl)oxy]methyl}(N-{[(2R)-1-methyl-2-piperidinyl]carbonyl}-L-alloisoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-5-(4-hydroxyphenyl)-2-methylpentanoic acid (CAS: 205304-86-5)?

This compound is primarily used in the pharmaceutical industry for developing clinical candidates. It has potential applications in treating various diseases, though its specific uses are limited and under research.

Is (2S,4R)-4-{[(2-{(1R,3R)-1-Acetoxy-4-methyl-3-[{[(3-methylbutanoyl)oxy]methyl}(N-{[(2R)-1-methyl-2-piperidinyl]carbonyl}-L-alloisoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-5-(4-hydroxyphenyl)-2-methylpentanoic acid (CAS: 205304-86-5) safe?

The safety of this compound is subject to proper handling and use. It should be used under controlled conditions with appropriate personal protective equipment (PPE) and in well-ventilated areas. Avoid contact with skin and eyes. Consult safety data sheets (SDS) for detailed information.

How should (2S,4R)-4-{[(2-{(1R,3R)-1-Acetoxy-4-methyl-3-[{[(3-methylbutanoyl)oxy]methyl}(N-{[(2R)-1-methyl-2-piperidinyl]carbonyl}-L-alloisoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-5-(4-hydroxyphenyl)-2-methylpentanoic acid (CAS: 205304-86-5) be stored?

Store the compound in a cool, dry place away from direct sunlight and moisture. Use a tightly sealed container to prevent degradation. Maintain a temperature below 25°C and avoid exposure to high humidity or temperatures above 30°C. Regularly check for signs of degradation or contamination.

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