TAS 205

CAT: 0931-T38350-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T38350-01Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1584160-52-0

Target

Others, Prostaglandin Receptor

Related Pathways

Others, Immunology/Inflammation, GPCR/G Protein

Bioactivity

TAS 205 is an inhibitor of hematopoietic prostaglandin D synthase (H-PGDS; IC50= 55.8 nM) .1It is selective for H-PGDS over lipocalin-type PGDS (L-PGDS) at 100 μM, as well as over enzyme and receptor panels at 10 μM. TAS 205 inhibits production of prostaglandin D2induced by A23187 in KU812 human and RBL-2H3 rat basophils with IC50values of 78.3 and 181.3 nM, respectively. It inhibits ovalbumin-induced nasal lavage fluid eosinophil infiltration and late-phase nasal obstruction in an ovalbumin-sensitized guinea pig model of allergic rhinitis when administered at a dose of 30 mg/kg.

Smiles

O.Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1

Molecular Formula

C27H38N6O5

Molecular Weight

526.638

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-N-[4-[4-(4-morpholinylcarbonyl)-1-piperidinyl]phenyl]-1-piperazinecarboxamide, monohydrate

CAS Number	1584160-52-0
PubChem CID	156588931
IUPAC Name	4-(1-methylpyrrole-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide;hydrate
Molecular Formula	C27H38N6O5
Molecular Weight	526.6
Topological Polar Surface Area	91.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	38
Formal Charge	0
Complexity	797

SMILES

CN1C=CC=C1C(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)N4CCC(CC4)C(=O)N5CCOCC5.O

InChI

InChI=1S/C27H36N6O4.H2O/c1-29-10-2-3-24(29)26(35)31-13-15-33(16-14-31)27(36)28-22-4-6-23(7-5-22)30-11-8-21(9-12-30)25(34)32-17-19-37-20-18-32;/h2-7,10,21H,8-9,11-20H2,1H3,(H,28,36);1H2

InChIKey

NFXCKTKGAJDCBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1584160-52-0

CID: 156588931

Formula: C27H38N6O5

MW: 526.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	526.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	526.29036833
Monoisotopic Mass	526.29036833
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	797
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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TAS 205

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