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SIRT1-IN-1 - 98%, high purity , CAS No.352554-02-0

    Grade & Purity:
  • ≥98%
In stock
Item Number
S651950
Grouped product items
SKU Size
Availability
Price Qty
S651950-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$500.90
S651950-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$800.90

Basic Description

Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms SIRT1-IN-1 is a selective SIRT1 inhibitor with an IC 50 of 0.205 μM. SIRT1-IN-1 inhibits SIRT2 with an IC 50 of 11.5 μM. SIRT1-IN-1, a indole, is a cytomegalovirus (CMV) inhibitors and has antiviral activity.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

SIRT1-IN-1 is a selective SIRT1 inhibitor with an IC 50 of 0.205 μM. SIRT1-IN-1 inhibits SIRT2 with an IC 50 of 11.5 μM SIRT1-IN-1, a indole, is a cytomegalovirus (CMV) inhibitors and has antiviral activity .

In Vitro

SIRT1-IN-1 (compound 2) has little effect on SIRT3 (IC 50 >100 μM) and HDAC (IC 50 >100 μM). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:SIRT1 0.205 μM (IC 50 ) SIRT2 11.5 μM (IC 50 ) SIRT3 >100 μM (IC 50 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass Carbazoles
Intermediate Tree Nodes Not available
Direct Parent Carbazoles
Alternative Parents 3-alkylindoles  Benzenoids  Pyrroles  Heteroaromatic compounds  Primary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Carbazole - 3-alkylindole - Indole - Benzenoid - Pyrrole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
External Descriptors Not available

Associated Targets(Human)

SIRT1 Tchem NAD-dependent protein deacetylase sirtuin-1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CD38 Tclin Lymphocyte differentiation antigen CD38 (364 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

HD1 Histone deacetylase (38 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

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 6-methyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
INCHI InChI=1S/C14H16N2O/c1-8-5-6-12-11(7-8)9-3-2-4-10(14(15)17)13(9)16-12/h5-7,10,16H,2-4H2,1H3,(H2,15,17)
InChIKey KQWPYXBWZWLRMZ-UHFFFAOYSA-N
Smiles CC1=CC2=C(C=C1)NC3=C2CCCC3C(=O)N
Isomeric SMILES CC1=CC2=C(C=C1)NC3=C2CCCC3C(=O)N
PubChem CID 661302
Molecular Weight 228.29

Certificates(CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 100 mg/mL (438.04 mM; Need ultrasonic)
Molecular Weight 228.290 g/mol
XLogP3 2.200
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 228.126 Da
Monoisotopic Mass 228.126 Da
Topological Polar Surface Area 58.900 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 317.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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