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Seratrodast - 97%, high purity , CAS No.112665-43-7

COA

Grade & Purity:

≥97%

Cas Number: 112665-43-7
Molecular Weight: 354.45
MDL number: MFCD00875701
PubChem CID: 2449
PubChem SID: 488179706

In stock

Item Number

S160980

Grouped product items
SKU	Size	Availability	Price
S160980-100mg	100mg	5	$33.90
S160980-250mg	250mg	4	$59.90
S160980-1g	1g	2	$179.90
S160980-5g	5g	1	$699.90

Potent and selective TXA 2 antagonist

View related series

Class A GPCR (4138) Ferroptosis (356) Glucose Metabolism (1943) GPCR/G Protein (3172) Intrinsic Pathway (690) Pharmaceutical ingredients (367) Prostaglandin Receptor (169)

Basic Description

Synonyms	(+/-)-2,4,5-TRIMETHYL-3,6-DIOXO-.ZETA.-PHENYL-1,4-CYCLOHEXADIENE-1-HEPTANOIC ACID \| J-002813 \| SERATRODAST [USAN] \| 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptanoic acid \| 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl
Specifications & Purity	≥97%
Biochemical and Physiological Mechanisms	Potent and selective TXA 2 antagonist (IC 50 = 7-350 nM). Shows bronchiodilatory effects in vivo. Orally active.Seratrodast is a thromboxane A2 (TXA2) receptor (TP receptor) antagonist with anti-asthmatic activity. Seratrodast inhibits the bronchconstrict
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Neoflavonoids
    - Subclass Dalbergiones

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Neoflavonoids
Subclass	Dalbergiones
Intermediate Tree Nodes	Not available
Direct Parent	Dalbergiones
Alternative Parents	Monocyclic monoterpenoids Aromatic monoterpenoids P-benzoquinones Medium-chain fatty acids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dalbergione skeleton - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Medium-chain fatty acid - Quinone - P-benzoquinone - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dalbergiones. These are quinone derivatives containing a dalbergione moiety, which consists of a 1-4 quinone conjugated to a phenyl group at ring carbon 2.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

Pubchem Sid	488179706
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488179706
IUPAC Name	7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
INCHI	InChI=1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
InChIKey	ZBVKEHDGYSLCCC-UHFFFAOYSA-N
Smiles	CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C
Isomeric SMILES	CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C
PubChem CID	2449
Molecular Weight	354.45

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot Number	Certificate Type	Date	Item
H2401411	Certificate of Analysis	Jul 22, 2024	S160980
D2317293	Certificate of Analysis	Mar 08, 2023	S160980
D2317294	Certificate of Analysis	Mar 08, 2023	S160980
D2315291	Certificate of Analysis	Mar 08, 2023	S160980
D2315129	Certificate of Analysis	Mar 08, 2023	S160980
D2315141	Certificate of Analysis	Mar 08, 2023	S160980
D2315303	Certificate of Analysis	Mar 08, 2023	S160980
D2317295	Certificate of Analysis	Mar 08, 2023	S160980
D2317296	Certificate of Analysis	Mar 08, 2023	S160980

Chemical and Physical Properties

Sensitivity	Heat Sensitive
Melt Point(°C)	128 °C
Molecular Weight	354.400 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	354.183 Da
Monoisotopic Mass	354.183 Da
Topological Polar Surface Area	71.400 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	633.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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