Fmoc-Val-Cit-PAB-MMAE - ≥98% , CAS No.1350456-56-2

CAS: 1350456-56-2 Cat. No.: F412983 Molecular Weight: 1345.67 PubChem CID: 118986648

GRADE & PURITY ≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Information

Fmoc-Val-Cit-PAB-MMAE is a drug-linker conjugate for ADCs that consists of a ADC linker (Fmoc-Val-Cit-PAB) and a potent tubulin inhibitor (MMAE).

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Fmoc-Val-Cit-PAB-MMAE is a drug-linker conjugate for ADCs that consists of a ADC linker (Fmoc-Val-Cit-PAB) and a potent tubulin inhibitor (MMAE).

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
• IUPAC Name: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
• InChIKey: RHQGFVOXIOMBMC-UUMMFNFXSA-N
• 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
• PubChem CID: 118986648
• Molecular Weight: 1345.67

Chemical and Physical Properties

• Molecular Weight: 1345.700 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 36
• Exact Mass: 1344.77 Da
• Monoisotopic Mass: 1344.77 Da
• Topological Polar Surface Area: 319.000 Ų
• Heavy Atom Count: 97
• Formal Charge: 0
• Complexity: 2530.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1