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Bioactive Small Molecules
8-Mercaptocaffeine , CAS No.M668496

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8-Mercaptocaffeine , CAS No.M668496

Formula: C₈H₁₀N₄O₂S
Molecular Weight: 226.26
PubChem CID: 764318

Item Number

M668496

Grouped product items
SKU	Size	Availability	Price	Qty
M668496-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
M668496-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

Basic Description

Synonyms	8-Mercaptocaffeine \| CAFFEINE, 8-MERCAPTO- \| NSC11258 \| DTXSID90170761 \| BDBM50240932 \| NSC 11258 \| NSC-11258 \| AKOS000291422 \| CS-0361148 \| EN300-9487632 \| SR-01000418040 \| SR-01000418040-1 \| 8-Mercapto-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione \| 1

Product Properties

ALogP	0.2

Associated Targets(Human)

LGMN Tchem Legumain (1 Activities)

Discover Target: LGMN

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

CASP3 Tchem Caspase-3 (3632 Activities)

Discover Target: CASP3

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

CASP8 Tchem Caspase-8 (1006 Activities)

Discover Target: CASP8

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

LGMN Tchem Legumain (255 Activities)

Discover Target: LGMN

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

CTSS Tchem Cathepsin S (3285 Activities)

Discover Target: CTSS

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

Names and Identifiers

IUPAC Name	1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione
INCHI	InChI=1S/C8H10N4O2S/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13/h1-3H3,(H,9,15)
InChi Key	PBFGLXCHNDQITC-UHFFFAOYSA-N
Canonical SMILES	CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C
Isomeric SMILES	CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C
PubChem CID	764318
Molecular Weight	226.26

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