Tectol - Moligand™,≥98% , CAS No.24449-39-6

CAS: 24449-39-6 Cat. No.: T646663 Molecular Weight: 450.53 PubChem CID: 161453

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol | MS-28174 | AKOS030534862 | DTXSID30947318 | Tectol | 2,2,2',2'-Tetramethyl-2H,2'H-[5,5'-bibenzo[h]chromene]-6,6'-diol | HY-N7634 | (5,5'-Bi-2H-naphtho(1,2-b)pyran)-6,6'-diol

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Tectol, isolated from Lippia sidoides , exhibits significant activity against human leukemia cell lines HL60 and CEM Tectol is a farnesyltransferase (FTase) inhibitor with IC 50 s of 2.09 and 1.73 μM for human and T. brucei FTase, respectively. Tectol inhibits drug-resistant strain of P. falciparum (FcB1) with an IC 50 of 3.44 μM

Form:Solid

IC50& Target:Plasmodium

Specifications

Synonyms

5-(6-hydroxy-2, 2-dimethylbenzo[h]chromen-5-yl)-2, 2-dimethylbenzo[h]chromen-6-ol | MS-28174 | AKOS030534862 | DTXSID30947318 | Tectol | 2, 2, 2', 2'-Tetramethyl-2H, 2'H-[5, 5'-bibenzo[h]chromene]-6, 6'-diol | HY-N7634 | (5, 5'-Bi-2H-naphtho(1, 2-b)pyran)-6, 6'-diol

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Tectol, isolated from Lippia sidoides , exhibits significant activity against human leukemia cell lines HL60 and CEM. Tectol is a farnesyltransferase (FTase) inhibitor with IC 50 s of 2.09 and 1.73 μM for human and T. brucei FTase, respectively. Tect

Storage

Protected from light, 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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C4=C(C5=CC=CC=C5C6=C4C=CC(O6)(C)C)O)O)C
• IUPAC Name: 5-(6-hydroxy-2,2-dimethylbenzo[h]chromen-5-yl)-2,2-dimethylbenzo[h]chromen-6-ol
• InChIKey: FVTJXDIACKJEPH-UHFFFAOYSA-N
• INCHI: 1S/C30H26O4/c1-29(2)15-13-21-23(25(31)17-9-5-7-11-19(17)27(21)33-29)24-22-14-16-30(3,4)34-28(22)20-12-8-6-10-18(20)26(24)32/h5-16,31-32H,1-4H3
• Isomeric SMILES: CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C4=C(C5=CC=CC=C5C6=C4C=CC(O6)(C)C)O)O)C
• Alternate CAS: 24449-39-6
• PubChem CID: 161453
• MeSH Entry Terms: tectol
• Molecular Weight: 450.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Naphthopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Naphthopyrans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthopyrans
• Alternative Parents: 2,2-dimethyl-1-benzopyrans Naphthols and derivatives Alkyl aryl ethers Pyrans Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthopyran - 2,2-dimethyl-1-benzopyran - 1-naphthol - 1-benzopyran - Naphthalene - Benzopyran - Alkyl aryl ether - Benzenoid - Pyran - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings.
• 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)

CCRF-CEM (65223 Activities)

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

HL-60 (67320 Activities)

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 450.500 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 450.183 Da
• Monoisotopic Mass: 450.183 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 762.000
• 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