PD 404182 - Moligand™,≥98% , CAS No.72596-74-8

CAS: 72596-74-8 Cat. No.: P648408 Summenformel: C₁₁H₁₁N₃S Molekulargewicht: 217.29 EG-Nummer: 689-629-5 PubChem CID: 6603967

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXSID00424969 | NCGC00015809-03 | DTXSID8061137 | Lopac0_000947 | NCGC00015809-01 | SCHEMBL4097420 | PD 404,182 | PD 404182 | 9-thia-3,7-diazatricyclo[8.4.0.0?,?]tetradeca-1(10),2,11,13-tetraen-8-imine | NCGC00015809-02 | 2H,6H-Pyrimido(1,2-C)(1,3)benzot

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

PD 404182 is a potent and competitive inhibitor of human dimethylarginine dimethylaminohydrolase 1 (DDAH1) , with an IC 50 of 9 μM. PD 404182 exhibits antiangiogenic and antiviral activity in vitro

In Vitro

PD 404182 (20 μM) increases asymmetric dimethylarginine (ADMA) approximately 70% in ECs. PD 404182 (50-100 μM; 18 hours) attenuates endothelial tube formation in virto and does not perturb cell membrane integrity or induces cytotoxicity. PD 404182 inhibits HIV-1 in seminal plasma, with an IC 50 of 1 μM. PD 404182 (300 μM;30 minutes) exhibits low toxicity toward several human cell lines , freshly activated PBMCs, primary CD 4+ T lymphocytes, macrophages, and dendritic cells, and lactobacilli found in the normal vaginal flora. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Human dermal microvascular endothelial cells (ECs) Concentration: 10-300 μM Incubation Time: 24 hours Result: Did not induce cytotoxicity.

Form:Solid

IC50& Target:IC50: 9 μM (DDAH1)

Specifications

Synonyme

DTXSID00424969 | NCGC00015809-03 | DTXSID8061137 | Lopac0_000947 | NCGC00015809-01 | SCHEMBL4097420 | PD 404,182 | PD 404182 | 9-thia-3,7-diazatricyclo[8.4.0.0?,?]tetradeca-1(10),2,11,13-tetraen-8-imine | NCGC00015809-02 | 2H,6H-Pyrimido(1,2-C)(1,3)benzot

Spezifikationen & Reinheit

Moligand™,≥98%

Biochemische und physiologische Mechanismen

PD 404182 is a potent and competitive inhibitor of human dimethylarginine dimethylaminohydrolase 1 (DDAH1) , with an IC 50 of 9 μM. PD 404182 exhibits antiangiogenic and antiviral activity in vitro.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1CN=C2C3=CC=CC=C3SC(=N)N2C1
• IUPAC Name: 3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine
• InChIKey: JNENSSREQFBZGT-UHFFFAOYSA-N
• INCHI: 1S/C11H11N3S/c12-11-14-7-3-6-13-10(14)8-4-1-2-5-9(8)15-11/h1-2,4-5,12H,3,6-7H2
• Isomere SMILES: C1CN=C2C3=CC=CC=C3SC(=N)N2C1
• PubChem CID: 6603967
• Molekulargewicht: 217.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzothiazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazines
• Alternative Parents: Aryl thioethers Imidolactams Hydropyrimidines Benzenoids 1,3-thiazines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzothiazine - Aryl thioether - Meta-thiazine - Hydropyrimidine - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Isothiourea - Amidine - Carboxylic acid amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzothiazines. These are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Not available

Data sources

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

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HDAC8 Tclin Histone deacetylase 8 (1 Activities)

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HDAC5 Tclin Histone deacetylase 5 (1 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

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HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

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HDAC3 Tclin Histone deacetylase 3 (3654 Activities)

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HDAC4 Tclin Histone deacetylase 4 (2328 Activities)

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NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC7 Tclin Histone deacetylase 7 (1047 Activities)

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CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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HeLa (62764 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DDAH1 Tchem N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (231 Activities)

Discover Target: DDAH1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

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THPO Tbio Thrombopoietin (834 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

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Hdac1 Histone deacetylase 1 (93 Activities)

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Hdac5 Histone deacetylase 5 (5 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Human immunodeficiency virus 2 (5592 Activities)

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Human immunodeficiency virus (3636 Activities)

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RAW264.7 (28094 Activities)

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lef Anthrax lethal factor (7585 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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PYK Pyruvate kinase (6726 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 50 mg/mL (230.11 mM; Need ultrasonic)
• Molekulargewicht: 217.290 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 217.067 Da
• Monoisotopic Mass: 217.067 Da
• Topological Polar Surface Area: 64.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 313.000
• 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