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BNS

CAT: 0931-T26880Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26880Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1417440-37-9
Target
Others, HIF/HIF Prolyl-Hydroxylase
Related Pathways
Chromatin/Epigenetic, Metabolism, Others
Bioactivity
BNS is a potent, prolyl-hydroxylase 2 (PHD2) -selective inhibitor.
Smiles
C(S(CC(N=C1N(O)C(CC(O)=O)=CS1)=O)(=O)=O)C2=CC3=C(C=C2)C=CC=C3
Molecular Formula
C18H16N2O6S2
Molecular Weight
420.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[3-Hydroxy-2-[2-(naphthalen-2-ylmethylsulfonyl)acetyl]imino-1,3-thiazol-4-yl]acetic acid
CAS Number1417440-37-9
PubChem CID71717922
IUPAC Name2-[3-hydroxy-2-[2-(naphthalen-2-ylmethylsulfonyl)acetyl]imino-1,3-thiazol-4-yl]acetic acid
Molecular FormulaC18H16N2O6S2
Molecular Weight420.5
XLogP1.6
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity786
SMILES
C1=CC=C2C=C(C=CC2=C1)CS(=O)(=O)CC(=O)N=C3N(C(=CS3)CC(=O)O)O
InChI
InChI=1S/C18H16N2O6S2/c21-16(19-18-20(24)15(9-27-18)8-17(22)23)11-28(25,26)10-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9,24H,8,10-11H2,(H,22,23)
InChIKey
QNCNQHCDQMPPGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[3-Hydroxy-2-[2-(naphthalen-2-ylmethylsulfonyl)acetyl]imino-1,3-thiazol-4-yl]acetic acid
CAS: 1417440-37-9
CID: 71717922
Formula: C18H16N2O6S2
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass420.04497858
Monoisotopic Mass420.04497858
Topological Polar Surface Area158 Ų
Heavy Atom Count28
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes