Seratrodast - 10mM in DMSO , CAS No.112665-43-7

CAS: 112665-43-7 Cat. No.: S420660 Molecular Weight: 354.45 EC Number: 692-169-8 PubChem CID: 2449
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
SERATRODAST|112665-43-7|Bronica|7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid|Abbott 73001|ABT-001|AA-2414|Abbott-73001|AA 2414|(+-)-7-(3,5,6-Trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid|103185-78-0|A-73001|NSC-7596
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
S420660-1ml
1
$34.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
SERATRODAST | 112665-43-7 | Bronica | 7-phenyl-7-(2, 4, 5-trimethyl-3, 6-dioxocyclohexa-1, 4-dien-1-yl)heptanoic acid | Abbott 73001 | ABT-001 | AA-2414 | Abbott-73001 | AA 2414 | (+-)-7-(3, 5, 6-Trimethyl-1, 4-benzoquinon-2-yl)-7-phenylheptanoic acid | 103185-78-0 | A-73001 | NSC-7596
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Potent and selective TXA 2 antagonist (IC 50 = 7-350 nM). Shows bronchiodilatory effects in vivo. Orally active.
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C
IUPAC Name7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid
InChIKeyZBVKEHDGYSLCCC-UHFFFAOYSA-N
INCHI1S/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)
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

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassNeoflavonoids
SubclassDalbergiones
Intermediate Tree Nodes Not available
Direct ParentDalbergiones
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TBXA2R Tclin Thromboxane A2 receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SensitivityHeat Sensitive
Melt Point(°C)128 °C
Molecular Weight354.400 g/mol
XLogP34.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass354.183 Da
Monoisotopic Mass354.183 Da
Topological Polar Surface Area71.400 Ų
Heavy Atom Count26
Formal Charge0
Complexity633.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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