Basic information
- CAS
841202-16-2- Standard SMILES
O=C(O)C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1- InChIKey
BUZBVOKDNAZIIM-UHFFFAOYSA-N- Molecular formula
- C20H20N2O3S
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.11946368
Overview
an NSAID with leukotriene A4 hydrolase inhibitory activity; structure in first source
Names & identifiers
- Preferred name
- Jnj-26993135
- IUPAC
- 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
- English name
- 1-(4-(benzo[d]thiazol-2-yloxy)benzyl)piperidine-4-carboxylic acid
- Molecular formula
- C20H20N2O3S
- Molecular weight
- 368.45
Names & synonyms
841202-16-2JNJ-269931351-(4-(benzothiazol-2-yloxy)benzyl)piperidine-4-carboxylic acidJNJ 269931357W7511NPF8JNJ269931351-[4-(Benzothiazol-2-yloxy)benzyl]piperidine-4-carboxylic AcidRefChem:9239601-[4-(benzothiazol-2-yloxy)-benzyl]-piperidine-4-carboxylic acid1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid1-[[4-(2-Benzothiazolyloxy)phenyl]methyl]-4-piperidinecarboxylic acidUNII-7W7511NPF8
Show more names
JNJ-26993135 (JNJ26993135)1-(4-(benzo[d]thiazol-2-yloxy)benzyl)piperidine-4-carboxylic acid4-Piperidinecarboxylic acid, 1-[[4-(2-benzothiazolyloxy)phenyl]methyl]-
1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidine-4-carboxylic acidBenzthiazole compound, 33rCHEMBL481280orb1740885SCHEMBL1896239SCHEMBL29674385BDBM24239GLXC-15944
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
Physicochemical properties
- form
- Solid
- color
- Off-white to light yellow
- FDA UNII
- 7 W7511NPF8 · 7W7511NPF8
Chemistry & industry
Applications
UsesJNJ-26993135 is a selective leukotriene A4 hydrolase (LTA4H) inhibitor with the IC50 value of 11 nM[1].
Suppliers10 total
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
南京益冉生物医药科技有限公司13770809694 · [email protected]
上海碧咸医药科技有限公司13816613772 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
武汉爱默尔特科技有限公司027-888-4366503 13986279625 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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