TIC10 Analogue - ≥98% , CAS No.41276-02-2

CAS: 41276-02-2 Cat. No.: T129707 Molecular Weight: 386.49 PubChem CID: 336423

GRADE & PURITY ≥98%

Synonyms

AKOS027276446 | EN300-73322 | NCIStruc2_001940 | HMS3653M07 | HY-15615 | NCGC00014802 | AS-74671 | TIC10isomer | NCGC00097903-01 | AC-32687 | TIC10 | TIC-10 | 7-benzyl-10-(2-methylbenzyl)-2,6,7,8,9,10-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(3H)-on

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

TIC10 (TRAIL-inducing compound 10) is a potent and stable small molecule that is orally active. It induces TRAIL transcriptionally independent of p53 and crosses the blood-brain barrier.

Specifications

Synonyms

AKOS027276446 | EN300-73322 | NCIStruc2_001940 | HMS3653M07 | HY-15615 | NCGC00014802 | AS-74671 | TIC10isomer | NCGC00097903-01 | AC-32687 | TIC10 | TIC-10 | 7-benzyl-10-(2-methylbenzyl)-2, 6, 7, 8, 9, 10-hexahydroimidazo[1, 2-a]pyrido[4, 3-d]pyrimidin-5(3H)-on

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

TIC10 (TRAIL-inducing compound 10) is an orally active, stable and potent small molecule that has been shown to transcriptionally induce TRAIL and TRAIL-mediated cell death in a p53-independent manner. TIC10 also activates the gene Foxo3a by dually inacti

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758510
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758510
• Canonical Smiles: CC1=CC=CC=C1CN2C3=C(CN(CC3)CC4=CC=CC=C4)C(=O)N5C2=NCC5
• IUPAC Name: 11-benzyl-2-[(2-methylphenyl)methyl]-2,4,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3-dien-8-one
• InChIKey: RSAQARAFWMUYLL-UHFFFAOYSA-N
• INCHI: 1S/C24H26N4O/c1-18-7-5-6-10-20(18)16-28-22-11-13-26(15-19-8-3-2-4-9-19)17-21(22)23(29)27-14-12-25-24(27)28/h2-10H,11-17H2,1H3
• Isomeric SMILES: CC1=CC=CC=C1CN2C3=C(CN(CC3)CC4=CC=CC=C4)C(=O)N5C2=NCC5
• PubChem CID: 336423
• Molecular Weight: 386.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidazopyrimidines
• Alternative Parents: Phenylmethylamines Benzylamines Toluenes Aralkylamines Hydropyrimidines Vinylogous amides Imidazolines Trialkylamines Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Enamines Carboximidamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Imidazopyrimidine - Benzylamine - Phenylmethylamine - Aralkylamine - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Benzenoid - Vinylogous amide - 2-imidazoline - Amino acid or derivatives - Guanidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Enamine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as imidazopyrimidines. These are organic polycyclic compounds containing an imidazole ring fused to a pyrimidine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)

Discover Target: HIF1A

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO mg/mL Water mg/mL Ethanol mg/mL
• Molecular Weight: 386.500 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 386.211 Da
• Monoisotopic Mass: 386.211 Da
• Topological Polar Surface Area: 39.200 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 693.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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