Fmoc-Val-Cit-PAB-MMAE

Basic Information

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CAS Number

1350456-56-2

Molecular Formula

C73H104N10O14

Molecular Weight

1345.69 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)OCC1c2ccccc2c2c1cccc2)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@H](c1ccccc1)O)C)C)OC)OC)C

InChI

1S/C73H104N10O14/c1-15-45(8)63(58(94-13)39-59(84)83-38-24-32-57(83)65(95-14)46(9)66(86)76-47(10)64(85)49-25-17-16-18-26-49)81(11)70(90)61(43(4)5)79-69(89)62(44(6)7)82(12)73(93)97-40-48-33-35-50(36-34-48)77-67(87)56(31-23-37-75-71(74)91)78-68(88)60(42(2)3)80-72(92)96-41-55-53-29-21-19-27-51(53)52-28-20-22-30-54(52)55/h16-22,25-30,33-36,42-47,55-58,60-65,85H,15,23-24,31-32,37-41H2,1-14H3,(H,76,86)(H,77,87)(H,78,88)(H,79,89)(H,80,92)(H3,74,75,91)/t45-,46+,47+,56-,57-,58+,60-,61-,62-,63-,64+,65+/m0/s1

InChIKey

RHQGFVOXIOMBMC-UUMMFNFXSA-N

LogP

8.014100000000017

Topological Polar Surface Area

318.70000000000005 Å²

Hydrogen Bond Donor/Acceptor

9 / 24

Complexity

2530

Synonyms & References

English

Fmoc-Val-Cit-PAB-MMAE

MDL Number

MFCD30377196

FAQ

What are the physical and chemical properties of Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2)?

Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2) is a crystalline compound with a molecular weight of approximately 738.7 g/mol. It has a low solubility in water but is soluble in organic solvents like DMSO and DMF. The compound is reactive towards nucleophiles and can undergo amidation reactions. It is stable under neutral and mildly acidic conditions but should be stored in dry conditions to avoid degradation.

How is Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2) typically synthesized?

Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2) is synthesized by coupling Fmoc-Val-Cit-PAB with MMAE (MMAE is a macromer derivative) using standard peptide coupling chemistry. The reaction typically involves activating the amino group of Val-Cit-PAB with Fmoc protection, followed by deprotection and coupling with MMAE. The process requires careful control of pH and temperature to ensure high yield and selectivity.

What industries use Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2)?

Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2) is primarily used in the pharmaceutical industry for conjugation of antibodies and proteins. It is also utilized in the polymer industry for preparing functional polymers with specific properties. Additionally, it is applied in the semiconductor and sensor industries for creating functionalized devices and materials with enhanced performance.

What precautions should be taken when handling Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2)?

When handling Fmoc-Val-Cit-PAB-MMAE (CAS: 1350456-56-2), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up immediately using appropriate absorbents. Always consult the safety data sheet (SDS) for detailed information on handling and disposal. Fume hood use is recommended during handling to minimize inhalation exposure.