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LCL-161 is a small molecule Smac mimetic that functions as a second mitochondria-derived activator of caspases (SMAC) inhibitor. It is designed to target and inhibit multiple inhibitor of apoptosis (IAP) family proteins, thereby promoting apoptosis and potentially enhancing the effectiveness of anti-tumor drugs.

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  • (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide

    Cas No: 1005342-46-0

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  • 1005342-46-0 Structure
  • Basic information

    1. Product Name: LCL-161
    2. Synonyms: LCL-161;N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoethyl]-N2-MethylalaninaMide;(2S)-N-[(1S)-1-Cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-propanamide;N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-(2S)-propanamide;(2S)-N-[(1S)-1-Cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-2-thiazolyl]-1-pyrrolidinyl]-2-oxoethyl]-2-(methylamino)-propanamide LCL 161;(S)-N-((S)-1-Cyclohexyl-2-((S)-2-(4-(4-fluorobenzoyl)thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl);LCL161, 98%, inhibitor of Apoptosis Protein (IAP) family of proteins
    3. CAS NO:1005342-46-0
    4. Molecular Formula: C26H33FN4O3S
    5. Molecular Weight: 500.6286232
    6. EINECS: N/A
    7. Product Categories: Inhibitors
    8. Mol File: 1005342-46-0.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 713.7±60.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.245±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: ≥25.05 mg/mL in DMSO; insoluble in H2O; insoluble in EtOH
    9. PKA: 14.25±0.46(Predicted)
    10. CAS DataBase Reference: LCL-161(CAS DataBase Reference)
    11. NIST Chemistry Reference: LCL-161(1005342-46-0)
    12. EPA Substance Registry System: LCL-161(1005342-46-0)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. RIDADR: 3077
    5. WGK Germany:
    6. RTECS:
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 1005342-46-0(Hazardous Substances Data)

1005342-46-0 Usage

Uses

Used in Oncology:
LCL-161 is used as a therapeutic agent in oncology for prolonging patient survival. It is employed to increase the apoptosis induced by anti-tumor drugs, which can lead to a more effective treatment response against cancer cells. By inhibiting IAP family proteins, LCL-161 may help overcome resistance to apoptosis and improve the overall efficacy of cancer treatments.

Check Digit Verification of cas no

The CAS Registry Mumber 1005342-46-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,0,5,3,4 and 2 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1005342-46:
(9*1)+(8*0)+(7*0)+(6*5)+(5*3)+(4*4)+(3*2)+(2*4)+(1*6)=90
90 % 10 = 0
So 1005342-46-0 is a valid CAS Registry Number.

1005342-46-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name N-[(1S)-1-Cyclohexyl-2-{(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-1-pyrrolidinyl}-2-oxoethyl]-N2-methylalaninamide

1.2 Other means of identification

Product number -
Other names N1-(1H-benzimidazol-2-ylmethyl)-N1-(5,6,7,8-tetrahydro-quinolin-8-yl)-butane-1,4-diamine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1005342-46-0 SDS

1005342-46-0Downstream Products

1005342-46-0Relevant articles and documents

SOLID ORAL FORMULATIONS AND CRYSTALLINE FORMS OF AN INHIBITOR OF APOPTOSIS PROTEIN

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, (2011/02/24)

The present disclosure relates to crystalline form of (S)-N-((S)-1- cyclohexyl-2-{(S)-2-[4-(4-fluoro-benzoyl)-thiazol-2-yl]-pyrrolidin-1-yl}-2-oxo-ethyl)- 2-methylamino-propionamide, salts and hydrates thereof. This disclosure also relates to solid oral f

COMBINATION OF IAP INHIBITORS AND FLT3 INHIBITORS

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, (2010/04/23)

The present invention relates to methods of treating hematological malignancies, including acute myeloid leukemia (AML), comprising the combination of a compound that inhibits the binding of the Smac protein to IAPs (“IAP inhibitor”) and one or more pharmaceutically active agents; pharmaceutical compositions comprising said combination; and a commercial package comprising said combination. The present invention also relates to the use of IAP inhibitors in combination with one or more pharmaceutically active agents for the preparation of a medicament to treat hematological malignancies, including AML.

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