Boc-Val-Cit-PAB-PNP - ≥98% , CAS No.870487-10-8

CAS: 870487-10-8 Cat. No.: B412328 Molecular Weight: 644.67 PubChem CID: 75412383

GRADE & PURITY ≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Information

Boc-Val-Cit-PAB-PNP is a cleavable linker of ADC that is used in the synthesis of antibody-drug conjugates (ADCs).

Specifications

Specifications & Purity

≥98%

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.

Purity

≥98%

Product Properties

• ALogP: 3.62
• HBD Count: 5
• Rotatable Bond: 18

Names and Identifiers

• Pubchem Sid: 504772377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772377
• Canonical Smiles: CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C
• IUPAC Name: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate
• InChIKey: SKWLDDHVHXQPOG-ZEQRLZLVSA-N
• INCHI: 1S/C30H40N6O10/c1-18(2)24(35-28(40)46-30(3,4)5)26(38)34-23(7-6-16-32-27(31)39)25(37)33-20-10-8-19(9-11-20)17-44-29(41)45-22-14-12-21(13-15-22)36(42)43/h8-15,18,23-24H,6-7,16-17H2,1-5H3,(H,33,37)(H,34,38)(H,35,40)(H3,31,32,39)/t23-,24-/m0/s1
• Isomeric SMILES: CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C
• PubChem CID: 75412383
• Molecular Weight: 644.67

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• DMSO(mg / mL) Max Solubility: 80
• DMSO(mM) Max Solubility: 124.094497960197
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 644.700 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 17
• Exact Mass: 644.281 Da
• Monoisotopic Mass: 644.281 Da
• Topological Polar Surface Area: 233.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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