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T-0201

CAT: 0931-T34762-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T34762-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
169679-53-2
Target
Others
Related Pathways
Others
Bioactivity
T-0201 (TA 0201) is a highly potent, long-acting, orally active, and selective ETA receptor antagonist. T-0201 also inhibited ET-1-induced pulmonary artery contraction in isolated rabbits.
Smiles
N(S(=O)(=O)C1=CC=C(C(CO)(C)C)C=C1)C=2C(=C(OCCOC=3N=CC(Br)=CN3)N=CN2)C4=CC=C(C)C=C4
Molecular Formula
C27H28BrN5O5S
Molecular Weight
614.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CAS Number169679-53-2
PubChem CID9852318
IUPAC NameN-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
Molecular FormulaC27H28BrN5O5S
Molecular Weight614.5
XLogP4.8
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity838
SMILES
CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)CO
InChI
InChI=1S/C27H28BrN5O5S/c1-18-4-6-19(7-5-18)23-24(33-39(35,36)22-10-8-20(9-11-22)27(2,3)16-34)31-17-32-25(23)37-12-13-38-26-29-14-21(28)15-30-26/h4-11,14-15,17,34H,12-13,16H2,1-3H3,(H,31,32,33)
InChIKey
YAWNVAQKVARTGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(4-methylphenyl)pyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CAS: 169679-53-2
CID: 9852318
Formula: C27H28BrN5O5S
MW: 614.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight614.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass613.09945
Monoisotopic Mass613.09945
Topological Polar Surface Area145 Ų
Heavy Atom Count39
Formal Charge0
Complexity838
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

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