Grouped product items

SKU

Size

Availability

Price

Qty

T668002-1mg

1mg

Available within 8-12 weeks(?)

$999.90

T668002-5mg

5mg

Available within 8-12 weeks(?)

$2,999.90

Basic Description

Synonyms	Theophylline, 8-((2-pyridylmethyl)thio)-2-thio- \| NSC99663 \| NSC-99663 \| BA0N835VZI \| MLS000737208 \| 8-((2-Pyridylmethyl)thio)-2-thiotheophylline \| 8-[(2-Pyridylmethyl)thio]-2-thiotheophylline \| Theophylline, 8-[(2-pyridylmethyl)thio]-2-thio- \| 1,2,3,9-Te

Product Properties

ALogP	1.5

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 1 Activities

Discover Target: CYP1A2

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

Aldehyde dehydrogenase 1A1 77053 Activities

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

Cytochrome P450 2D6 33882 Activities

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Cytochrome P450 1A2 26471 Activities

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Cytochrome P450 2C9 32119 Activities

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Cytochrome P450 2C19 29246 Activities

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Cytochrome P450 3A4 53859 Activities

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A498 42825 Activities

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ACHN 49357 Activities

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CAKI-1 44928 Activities

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CCRF-CEM 65223 Activities

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COLO 205 50209 Activities

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DU-145 51482 Activities

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HL-60 67320 Activities

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HT-29 80576 Activities

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K562 73714 Activities

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KM12 47707 Activities

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M14 47487 Activities

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MCF7 126967 Activities

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MOLT-4 49676 Activities

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OVCAR-3 48710 Activities

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OVCAR-4 44535 Activities

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OVCAR-5 45555 Activities

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OVCAR-8 47708 Activities

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PC-3 62116 Activities

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RPMI-8226 44974 Activities

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RXF 393 41971 Activities

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SF-295 48000 Activities

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SK-MEL-2 46422 Activities

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SK-MEL-28 48833 Activities

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SK-MEL-5 47095 Activities

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SK-OV-3 52876 Activities

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SN12C 47755 Activities

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SNB-19 46794 Activities

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TK-10 45540 Activities

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U-251 51189 Activities

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UACC-257 46019 Activities

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UACC-62 47335 Activities

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UO-31 46270 Activities

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786-0 47912 Activities

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A549 127892 Activities

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NCI/ADR-RES 33767 Activities

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T47D 39041 Activities

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EKVX 44102 Activities

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NCI-H322M 45589 Activities

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HCT-116 91556 Activities

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

HOP-92 41141 Activities

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Hs-578T 29457 Activities

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NCI-H460 60772 Activities

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SF-268 49410 Activities

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IGROV-1 47897 Activities

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Associated Targets(non-human)

Pseudomonas aeruginosa 123386 Activities

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

Klebsiella pneumoniae 43867 Activities

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

Staphylococcus aureus 210822 Activities

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

Acinetobacter baumannii 41033 Activities

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

Escherichia coli 133304 Activities

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

Plasmodium falciparum 966862 Activities

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

Cryptococcus neoformans 21258 Activities

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

Candida albicans 78123 Activities

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

Microtubule-associated protein tau 6 Activities

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

Putative fructose-1,6-bisphosphate aldolase 15559 Activities

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

Names and Identifiers

IUPAC Name	1,3-dimethyl-8-(pyridin-2-ylmethylsulfanyl)-2-sulfanylidene-7H-purin-6-one
INCHI	InChI=1S/C13H13N5OS2/c1-17-10-9(11(19)18(2)13(17)20)15-12(16-10)21-7-8-5-3-4-6-14-8/h3-6H,7H2,1-2H3,(H,15,16)
InChi Key	JEQRSEYZISVMFU-UHFFFAOYSA-N
Canonical SMILES	CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=CC=N3
Isomeric SMILES	CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=CC=N3
PubChem CID	97098
Molecular Weight	319.4

Certificates

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SKU	Size	Availability	Price	Qty
T668002-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
T668002-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Theophylline, 8-((2-pyridylmethyl)thio)-2-thio- , CAS No.6466-14-4