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· · COA & SDS available for every product · Same-day shipping on in-stock items Theophylline-7-acetic acid - 10mM in DMSO , CAS No.652-37-9
GRADE & PURITY 10mM in DMSO
Synonyms
Tox21_113765 | DB13573 | NSC52996 | NSC-52996 | Q4673059 | Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo- | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)aceticacid | 2-(1,3-Dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)a
Shipped In
Dry ice packs + Cold packs
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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
Tox21_113765 | DB13573 | NSC52996 | NSC-52996 | Q4673059 | Purine-7-acetic acid, 1, 2, 3, 6-tetrahydro-1, 3-dimethyl-2, 6-dioxo- | 2-(1, 3-Dimethyl-2, 6-dioxo-1, 2, 3, 6-tetrahydro-7H-purin-7-yl)aceticacid | 2-(1, 3-Dimethyl-2, 6-dioxo-2, 3-dihydro-1H-purin-7(6H)-yl)a
Specifications & Purity
10mM in DMSO
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 Smiles CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O IUPAC Name 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid InChIKey HCYFGRCYSCXKNQ-UHFFFAOYSA-N INCHI 1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15) Isomeric SMILES CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O WGK Germany 2 RTECS UO7451300 Alternate CAS 18833-13-1 Molecular Weight 238.2 Beilstein 279221 Reaxy-Rn 279221
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.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 270-272°C Molecular Weight 238.200 g/mol XLogP3 -0.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 2 Exact Mass 238.07 Da Monoisotopic Mass 238.07 Da Topological Polar Surface Area 95.700 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 385.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
References 1. Jiahui Ye, Longfei Mao, Luoyijun Xie, Rongjun Zhang, Yulin Liu, Lizeng Peng, Jianxue Yang, Qingjiao Li, Miaomiao Yuan. (2021) Discovery of a Series of Theophylline Derivatives Containing 1,2,3-Triazole for Treatment of Non-Small Cell Lung Cancer. Frontiers in Pharmacology, [PMID:34764872 ] [10.3389/fphar.2021.753676 ]
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