8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol

HCID 99040

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Basic information

CAS: 26685-57-4
Standard SMILES: C#CCN1CCC2=C(C1)c1c(O)cc(C(C)C(C)CCCCC)cc1OC2(C)C
InChIKey: PNEYWTKVWJBOMD-UHFFFAOYSA-N
Molecular formula: C26H37NO2
Average molar mass: 395.6 g/mol
Monoisotopic mass: 395.28242942

Overview

tetrahydropyridobenzopyran derived from cannabinoid nucleus; structure

Names & identifiers

Preferred name: 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propyn-1-yl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol
IUPAC: 5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol
English name: PREGNANCY-SPECIFIC BETA 1-GLYCOPROTEIN
Molecular formula: C26H37NO2
Molecular weight: 395.58

Names & synonyms

26685-57-4Abbott 401745HF6EE0TC4NSC-167790SP-1 (PHARMACEUTICAL)ABBOTT-40174A-401748-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYN-1-YL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-OLRefChem:914467SP 1 (pharmaceutical)SP-1NSC167790

Show more names

SP1CER2RHSP1GREM3CKTSF1B3GFRLTNFGYFEPGH-GFRLTNFGYFEPG-OHSP1 PROTEIN (HUMAN)SP3 PROTEIN (HUMAN)SP1, HUMAN, RECOMBINANT

5,5-dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-olSP-1 (VAN)NSC 1677905,5-DIMETHYL-10-HYDROXY-8-(3-METHYL-2-OCTYL)-2-(2-PROPYNYL)-1,2,3,4-TETRAHYDRO-5H-(1)BENZOPYRANO(3,4-D)PYRIDINE5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-2-(2-propynyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridineUNII-5HF6EE0TC45,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-ol8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-ol

Database identifiers

CAS: 26685-57-4
PubChem CID: 99040
DTXSID: DTXSID00949501
ChEMBL: CHEMBL66108
UNII: 5HF6EE0TC4
Nikkaji: J20.079D

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 32.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 642

Physicochemical properties

Boiling point: 517.8 · 517.8±50.0 °C(Predicted)
Density: 1.07 · 1.07±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
form: buffered aqueous solution
pka: 9.96 · 9.96±0.40(Predicted)
biological source: mouse
FDA UNII: 5 HF6EE0TC4 · 5HF6EE0TC4
UNSPSC Code: 12352203 · 12352203
NACRES: 41 · NA.41
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

Safety data

Storage Class: 10 - Combustible liquids

Chemistry & industry

Applications · 1 item

UsesSp1 protein was the first transcription factor to be cloned and characterized. It was first detected in HeLa cells on the basis of its ability to activate the SV40 early promoter transcription. Analysis of structure and function has revealed that Sp1 can be separated into discrete functional domains. The DNA-binding domain consists of three zinc fingers that specifically bind to the GC-box element.