FMOC-3VVD-OH - ≥98% , CAS No.863971-44-2

CAS: 863971-44-2 Cat. No.: F412327 Molecular Weight: 637.81 EC Number: 863-366-8 PubChem CID: 60042710

GRADE & PURITY ≥98%

Synonyms

SCHEMBL10220901 | UNII-46H5G5LP2T | 46H5G5LP2T | N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methylhexane-3-yl]-N-methyl-L-valinamide | AKOS037650431 | PD171432 | (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-y

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Fmoc-3VVD-OH is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)。

Specifications

Synonyms

SCHEMBL10220901 | UNII-46H5G5LP2T | 46H5G5LP2T | N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(2R, 3S, 4S)-1-carboxy-2-methoxy-4-methylhexane-3-yl]-N-methyl-L-valinamide | AKOS037650431 | PD171432 | (3R, 4S, 5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-y

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

FMOC-3VVD-OH is an active compound.

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC(C)C(C(CC(=O)O)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• IUPAC Name: (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid
• InChIKey: SMVBIYSFDNRJJI-FCUBIXSHSA-N
• INCHI: 1S/C36H51N3O7/c1-10-23(6)33(29(45-9)19-30(40)41)38(7)35(43)31(21(2)3)37-34(42)32(22(4)5)39(8)36(44)46-20-28-26-17-13-11-15-24(26)25-16-12-14-18-27(25)28/h11-18,21-23,28-29,31-33H,10,19-20H2,1-9H3,(H,37,42)(H,40,41)/t23-,29+,31-,32-,33-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H]([C@@H](CC(=O)O)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
• PubChem CID: 60042710
• Molecular Weight: 637.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Valine and derivatives N-acyl-alpha amino acids and derivatives Fluorenes Alpha amino acid amides Branched fatty acids N-acyl amines Tertiary carboxylic acid amides Carbamate esters Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-dipeptide - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Fluorene - Alpha-amino acid amide - Alpha-amino acid or derivatives - Branched fatty acid - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Carbamic acid ester - Tertiary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO: 37 mg/mL (58.01 mM)
• Molecular Weight: 637.800 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 16
• Exact Mass: 637.373 Da
• Monoisotopic Mass: 637.373 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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