Basic information
- CAS
17374-26-4- Standard SMILES
Brc1c(Br)c(Br)c2n[nH]nc2c1Br- InChIKey
OMZYUVOATZSGJY-UHFFFAOYSA-N- Molecular formula
- C6HBr4N3
- Average molar mass
- 434.71 g/mol
- Monoisotopic mass
- 430.6904
Overview
a CK2 kinase inhibitor
Names & identifiers
- Preferred name
- 4,5,6,7-Tetrabromobenzotriazole
- IUPAC
- 4,5,6,7-tetrabromo-2H-benzotriazole
- English name
- 4,5,6,7-Tetrabromobenzotriazole
- Molecular formula
- C6HBr4N3
- Molecular weight
- 434.71
Names & synonyms
4,5,6,7-tetrabromobenzotriazoleTBB benzotriazoleRefChem:89672017374-26-44,5,6,7-Tetrabromo-1H-benzotriazoleTBBTBBt4,5,6,7-Tetrabromo-1H-benzo[d][1,2,3]triazole4,5,6,7-tetrabromo-2H-benzotriazoleTETRABROMO-2-BENZOTRIAZOLE1H-Benzotriazole, 4,5,6,7-tetrabromo-MFCD06411399
Show more names
NSC 2316347-tetrabromo-CK2 INHIBITORTBB(NSC 231634)YM905 free baseTBB, 10 mM in DMSOTBB (enzyMe inhibitor)4,5,6,7-Tetrabromotriazole
4,5,6,7-tetrabromo-1h-1,2,3-benzotriazoleCHEMBL177820STO170HMS2043P01HMS3229D01HMS3413A16HMS3677A161H-Benzoriazole, 4,5,6,7-tetrahydro-
Database identifiers
- CAS
17374-26-4- PubChem CID
- 1694
- DTXSID
DTXSID20274322
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 262 · 262-266°C
- Boiling point
- 552.5 · 552.5±45.0 °C(Predicted)
- Density
- 2.84 · 2.840±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 28 mg/mL · DMSO: 28 mg/mL
- form
- solid
- pka
- 3.87 · 3.87±0.40(Predicted)
- color
- white
- λmax
- 300 nm · 300nm(MeOH)(lit.)
- InChI
- 1S/C6HBr4N3/c7-1-2(8)4(10)6-5(3(1)9)11-13-12-6/h(H,11,12,13)
- InChIKey
- OMZYUVOATZSGJY-UHFFFAOYSA-N
- SMILES
- Brc1c(Br)c(Br)c2[nH]nnc2c1Br
- UNSPSC Code
- 12352200 · 12352200
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
- hs_code
- 29349990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesTBB is one of the most selective protein kinase inhibitors known, and when tested against a panel of 33 serine/threonine and tyrosine protein kinases, only three exhibited moderate inhibition by TBB, with Ki values one to two orders of magnitude higher than that for CK2.
Upstream & downstream products
Upstream raw materials
Suppliers91 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shanghai Medfine Bio-pharmaceutical Co., Ltd+86-86-13013810076 +86-13013810076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…