Basic information
- CAS
76150-91-9- Standard SMILES
Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1- InChIKey
BAFKRPOFIYPKBQ-UHFFFAOYSA-N- Molecular formula
- C16H8Cl4N2O2
- Average molar mass
- 402.1 g/mol
- Monoisotopic mass
- 399.933988
Overview
potent phenobarbital-like inducer of microsomal monooxygenase activity; structure given in first source
Names & identifiers
- Preferred name
- Tcpobop
- IUPAC
- 3,5-dichloro-2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]pyridine
- English name
- TCPOBOP
- Molecular formula
- C16H8Cl4N2O2
- Molecular weight
- 402.06
Names & synonyms
tcpobop76150-91-91,4-Bis[2-(3,5-dichloropyridyloxy)]benzene1,4-BDPOBDTXSID80201751,4-Bis(2-(3,5-dichloropyridyloxy))benzene3,5-dichloro-2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]pyridine2,2'-[1,4-phenylenebis(oxy)]bis(3,5-dichloropyridine)P4R368GDD7DTXCID001752,2'-(1,4-Phenylenebis(oxy))bis(3,5-dichloropyridine)Pyridine, 2,2'-(1,4-phenylenebis(oxy))bis(3,5-dichloro-
Show more names
TCPOBOP, 10 mM in DMSO3,3',5,5'-TETRACHLORIDE-BPBTCPOBOP - CAS 76150-91-9 - Calbiocheminhibit,Bcl-2 Family,TCPOBOP,Inhibitor1,4-Bis(3,5-dichloro-2-pyridyloxy)benzene1,4-Bis(3,5-Dichloro-2-pyridinyloxy)benzeneTCPOBOP, Androstane receptor (mCAR) agonist3,3',5,5'-TETRACHLORIDE-BISPYRIDYLOXYBENZENE
PYRIDINE, 2,2'-[1,4-PHENYLENEBIS(OXY)]BIS[3,5-DICHLORO-2,2'-[1,4-Phenylenebis(oxy)]bis[3,5-dichloropyridine]3,5-dichloro-2-(4-(3,5-dichloropyridin-2-yl)oxyphenoxy)pyridineRefChem:187638Pyridine, 2,2'-(1,4-phenylenebis(oxy))bis(3,5-dichloro)1,4-bis((3,5-dichloropyridin-2-yl)oxy)benzenePyridine,2,2'-[1,4-phenylenebis(oxy)]bis[3,5-dichloro-3,5-DICHLORO-2-{4-[(3,5-DICHLOROPYRIDIN-2-YL)OXY]PHENOXY}PYRIDINE
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 44.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 444.8 · 444.8±45.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 10 mg/mL · DMSO: >10 mg/mL
- form
- solid
- pka
- -0.52 · -0.52±0.10(Predicted)
- color
- white
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 1 week.
- InChI
- 1S/C16H8Cl4N2O2/c17-9-5-13(19)15(21-7-9)23-11-1-2-12(4-3-11)24-16-14(20)6-10(18)8-22-16/h1-8H
- InChIKey
- BAFKRPOFIYPKBQ-UHFFFAOYSA-N
- SMILES
- Clc1cnc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c(Cl)c1
- FDA UNII
- 4 R368GDD7 · P4R368GDD7
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- UT7145000
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionTCPOBOP (76150-91-9) is an activator of the mouse constitutive androstane receptor (mCAR) and human Preganane X receptor.1 Tumor promoter of mouse hepatocarcinogenesis.
UsesTCPOBOP is an agonist for mCAR, inducing cytochrome P450 monooxygenases and multidrug resistance and cenobiotic efflux proteins.
General DescriptionA highly potent inducer of phenobarbital-like class of cytochrome P450 (CYP) enzymes. A tumor promoter that induces hepatocyte proliferation, independent of the presence of cytokines or transcription factors. Activates orphan nuclear receptors mCAR (mouse constitutive androstane receptor) and hPXR (human pregane X receptor), but has little or no effect on hCAR and mPXR. Also suppresses the expression of multi-drug resistance genes mdr2 and mdr3 in mouse liver.
Suppliers30 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
InvivoChem中国13549236410 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…