GGTI 298 - 10mM in DMSO , CAS No.1217457-86-7

CAS: 1217457-86-7 Cat. No.: G420939 Molecular Weight: 593.66

GRADE & PURITY 10mM in DMSO

Synonyms

GGTI298 (Trifluoroacetate) | DTXSID70582025 | PLVGDGRBPMVYPB-FDUHJNRSSA-N | BG178516 | GGTI 298 TFA salt | Ggti 298 | N-[4-[2(R)-Amino-3-mercaptopropyl]amino-2-(1-naphthalenyl)benzoyl]-L-leucine methyl ester trifluoroacetate salt | GGTI 298 trifluoroaceta

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

GGTI298 (Trifluoroacetate) | DTXSID70582025 | PLVGDGRBPMVYPB-FDUHJNRSSA-N | BG178516 | GGTI 298 TFA salt | Ggti 298 | N-[4-[2(R)-Amino-3-mercaptopropyl]amino-2-(1-naphthalenyl)benzoyl]-L-leucine methyl ester trifluoroacetate salt | GGTI 298 trifluoroaceta

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

CAAZ peptidomimetic geranylgeranyltransferase I (GGTase I) inhibitor. Strongly inhibits the processing of geranylgeranylated Rap1A with little effect on processing of farnesylated Ha-Ras (IC50values are 3 and > 10μM respectively). Causes G0-G1cell cycle b

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC3=CC=CC=C32.C(=O)(C(F)(F)F)O
• IUPAC Name: methyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-naphthalen-1-ylbenzoyl]amino]-4-methylpentanoate;2,2,2-trifluoroacetic acid
• InChIKey: WALKWJPZELDSKT-UFABNHQSSA-N
• INCHI: 1S/C27H33N3O3S.C2HF3O2/c1-17(2)13-25(27(32)33-3)30-26(31)23-12-11-20(29-15-19(28)16-34)14-24(23)22-10-6-8-18-7-4-5-9-21(18)22;3-2(4,5)1(6)7/h4-12,14,17,19,25,29,34H,13,15-16,28H2,1-3H3,(H,30,31);(H,6,7)/t19-,25+;/m1./s1
• Isomeric SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC3=CC=CC=C32.C(=O)(C(F)(F)F)O
• Alternate CAS: 180977-44-0
• Molecular Weight: 593.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Leucine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Leucine and derivatives
• Alternative Parents: Alpha amino acid esters Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Aminobenzamides Naphthalenes Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Fatty acid esters Secondary alkylarylamines Methyl esters Alpha-halocarboxylic acids Secondary carboxylic acid amides Carboxylic acids Alkylthiols Monocarboxylic acids and derivatives Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides
• Molecular Framework: Not available
• Substituents: Leucine or derivatives - Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Aminobenzamide - Naphthalene - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenylalkylamine - Benzoyl - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Fatty acid ester - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Alkylthiol - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Alkyl halide - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Primary aliphatic amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Associated Targets(Human)

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 593.700 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 11
• Exact Mass: 593.217 Da
• Monoisotopic Mass: 593.217 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 744.000
• 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: 2

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