Activity-Dependent Neuroprotective Protein Fragment 74-81, mouse, rat - ≥97%(HPLC) , Tubulin stabiliser, CAS No.211439-12-2, Tubulin stabiliser

CAS: 211439-12-2 Cat. No.: A118288 Molecular Weight: 824.92 PubChem CID: 9832404

GRADE & PURITY ≥97%(HPLC)

Synonyms

AL108 cpd | bromo-(-4chlorophenyl)magnesium | O,O-Dimethyl phosphorochloridate | 6.alpha.,9.alpha.-Difluoroprednisolone | Davunetide | AL 108 | Davunetide (USAN) | SCHEMBL239737 | AKOS040744852 | AL-408 | HY-105066 | NAPVSIPQ peptide | Influenza PR8 Hemag

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AL108 cpd | bromo-(-4chlorophenyl)magnesium | O, O-Dimethyl phosphorochloridate | 6.alpha., 9.alpha.-Difluoroprednisolone | Davunetide | AL 108 | Davunetide (USAN) | SCHEMBL239737 | AKOS040744852 | AL-408 | HY-105066 | NAPVSIPQ peptide | Influenza PR8 Hemag

Specifications & Purity

≥97%(HPLC)

Storage

Room temperature

Shipped In

Normal

Action Type

STABILISER

Mechanism of action

Tubulin stabiliser

Purity

≥97%(HPLC)

Product Properties

• ALogP: -5.6

Names and Identifiers

• Pubchem Sid: 504764926
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764926
• Canonical Smiles: CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C)NC(=O)C(CC(=O)N)N
• IUPAC Name: (2S)-5-amino-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
• InChIKey: DWLTUUXCVGVRAV-XWRHUKJGSA-N
• INCHI: 1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)N
• WGK Germany: 3
• PubChem CID: 9832404
• Molecular Weight: 824.92

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 Oligopeptides

• 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: Oligopeptides
• Alternative Parents: Glutamine and derivatives Isoleucine and derivatives Asparagine and derivatives Valine and derivatives Proline and derivatives Serine and derivatives Alpha amino acid amides N-acyl-L-glutamines Pyrrolidinecarboxamides N-acylpyrrolidines Heterocyclic fatty acids Hydroxy fatty acids Branched fatty acids N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Monoalkylamines Organic oxides Carbonyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Glutamine or derivatives - Asparagine or derivatives - Isoleucine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Proline or derivatives - Valine or derivatives - Alpha-amino acid amide - N-acyl-l-glutamine - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Branched fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty amide - Fatty acyl - N-acyl-amine - Fatty acid - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organooxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Amine - Organic oxide - Primary amine - Primary alcohol - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• 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

• Molecular Weight: 824.900 g/mol
• XLogP3: -5.600
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 22
• Exact Mass: 824.439 Da
• Monoisotopic Mass: 824.439 Da
• Topological Polar Surface Area: 356.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1560.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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