Basic information
- CAS
62284-79-1- Standard SMILES
Brc1ccc(C2CN3CCSC3=N2)cc1.O=C(O)C(=O)O- InChIKey
ZULBIBHDIQCNIS-UHFFFAOYSA-N- Molecular formula
- C13H13BrN2O4S
- Average molar mass
- 373.22 g/mol
- Monoisotopic mass
- 371.97794
Overview
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Names & identifiers
- Preferred name
- (S)-6-(p-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate
- IUPAC
- 6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;oxalic acid
- English name
- (-)-4-Bromotetramisole oxalate
- Molecular formula
- C13H13BrN2O4S
- Molecular weight
- 373.22
Names & synonyms
(S)-6-(p-Bromophenyl)-2,3,5,6-tetrahydroimidazo(2,1-b)thiazole oxalateEINECS 263-487-0DTXSID10977850(S)-6-(p-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalateImidazo(2,1-b)thiazole, 6-(4-bromophenyl)-2,3,5,6-tetrahydro-, (S)-, ethanedioate (1:1)RefChem:70447DTXCID001405184263-487-062284-79-1MFCD00070406(-)-4-Bromotetramisole oxalate71461-24-0
Show more names
(-)-p-Bromotetramisole oxalate6-BROMOLEVAMISOLE OXALATEL-P-BROMOTETRAMISOLE OXALATEBromotetramisole, L(-) oxalate
R 30402L-(-)-p-Bromotetramisole oxalate(-)-6(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole ethanedioateC13H13BrN2O4S(-)-p-Bromolevamisole oxalate(R)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole oxalate(S)-(-)-4-Bromotetramisole Oxalate;(-)-4-bromotetramisole oxalate salt;(-)-p-Bromolevamisole oxalate6646-52-2
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 192 °C · 192 °C (dec.) (lit.)
- Flash point
- Not applicable
- storage temp.
- 2 · 2-8°C
- solubility
- Soluble in Water (up to 10 mg/ml)
- form
- powder
- color
- White
- optical activity
- 25 · [α]25/D 104°, c = 0.5 in H2O
- BRN
- 4944883 · 4944883
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in distilled water may be stored at -20°C for up to 3 months.
- InChI
- InChI=1/C11H11BrN2S.C2H2O4/c12-9-3-1-8(2-4-9)10-7-14-5-6-15-11(14)13-10;3-1(4)2(5)6/h1-4,10H,5-7H2;(H,3,4)(H,5,6)/t10-;/s3
- InChIKey
- ZULBIBHDIQCNIS-MEQOOBBNNA-N
- SMILES
- C(=O)(O)C(=O)O.BrC1C=CC([C@@H]2N=C3SCCN3C2)=CC=1 |&1:11,r|
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 6 · NA.06
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 10
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 21/22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 24/25-36/37/39-26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 Oral
- Precautionary statements
- P264-P270-P280-P301+P312-P302+P352+P312-P362+P364
Chemistry & industry
Applications
DescriptionFour distinct human isoenzymes of alkaline phosphatase (AP) are known: intestinal (IAP), placental (PLAP), tissue non-specific (NSAP, also known as liver/bone/kidney AP), and germ cell AP (also known as placental-like AP, PLAP-like). L-p-Bromotetramisole is a cell-permeable inhibitor of all four human AP isoenzymes (Kis =18 and 56 μM for PLAP and NSAP, respectively). While PLAP is strongly inhibited by L-p-bromotetramisole, a second AP, possibly PLAP-like, shows only partial inhibition. L-p-Bromotetramisole has been shown to inhibit a tyrosine phosphatase from Drosophila and, as a result, is also used as a tyrosine phosphatase inhibitor.
UsesL-p-Bromotetramisole Oxalate or (-)-p-Bromotetramisole Oxalate is a potent inhibitor of alkaline phosphatase.
Suppliers73 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北研科时代科技有限公司15780669880 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
大连美仑生物技术有限公司
Related reactions
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Compound notes
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