Cruzain-IN-1 - 10mM in DMSO , CAS No.1199523-24-4

CAS: 1199523-24-4 Cat. No.: C420882 Peso molecular: 300.27

COA

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Cruzain-IN-1 - 10mM in DMSO CAS No(1199523-24-4) by Aladdin Scientific

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Disponible para pedir

GRADE & PURITY 10mM in DMSO

Synonyms

BS-14613 | SR-01000860687 | SMR001395197 | 6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile | Cruzain-IN-1 | D80998 | AKOS037515628 | ML092;ML 092;ML-092 | HMS2203P24 | Q27164166 | HY-10836 | (S)-benzyl?1-chloropropan-2-ylcarbamate | BCP29960 | ZXB523

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general Specifications Propiedades del producto Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Information

Cruzain-IN-1 Cruzain-IN-1 is a selective inhibitor of trypanosomal cysteine proteases and a covalent and reversible Cruzain inhibitor with IC50 of 10 nM.

Targets

Cruzain (Cell-free assay) 10 nM

Specifications

Sinónimos

BS-14613 | SR-01000860687 | SMR001395197 | 6-(3, 5-difluoroanilino)-9-ethylpurine-2-carbonitrile | Cruzain-IN-1 | D80998 | AKOS037515628 | ML092;ML 092;ML-092 | HMS2203P24 | Q27164166 | HY-10836 | (S)-benzyl?1-chloropropan-2-ylcarbamate | BCP29960 | ZXB523

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Cruzain-IN-1 is a selective inhibitor of trypanosomal cysteine proteases and a covalent and reversible Cruzain inhibitor with IC50 of 10 nM.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Propiedades del producto

ALogP	2.801
hba_count	3
Recuento HBD	1
Enlace rotable	3

Nombres e identificadores

Sonrisas canónicas	CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)F
IUPAC Name	6-(3,5-difluoroanilino)-9-ethylpurine-2-carbonitrile
InChIKey	SZYYBVWPURUFRR-UHFFFAOYSA-N
INCHI	1S/C14H10F2N6/c1-2-22-7-18-12-13(20-11(6-17)21-14(12)22)19-10-4-8(15)3-9(16)5-10/h3-5,7H,2H2,1H3,(H,19,20,21)
Isómeros SMILES	CCN1C=NC2=C(N=C(N=C21)C#N)NC3=CC(=CC(=C3)F)F
Peso molecular	300.27
Reaxy-Rn	20129837
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20129837&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Clase Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Clase	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	6-aminopurines
Alternative Parents	Aniline and substituted anilines Fluorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl fluorides Heteroaromatic compounds Secondary amines Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	6-aminopurine - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Secondary amine - Azacycle - Carbonitrile - Nitrile - Organofluoride - Organopnictogen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors	Not available
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

Estructura 3D

Objetivos asociados (humanos)

CTSZ Tchem Cathepsin Z (1 Activities)

Discover Target: CTSZ

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

CTSL Tclin Cathepsin L1 (1 Activities)

Discover Target: CTSL

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

CTSS Tchem Cathepsin S (1 Activities)

Discover Target: CTSS

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

CTSV Tchem Cathepsin L2 (1 Activities)

Discover Target: CTSV

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

CTSK Tchem Cathepsin K (1 Activities)

Discover Target: CTSK

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

CTSH Tchem Pro-cathepsin H (1 Activities)

Discover Target: CTSH

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

CTSC Tchem Dipeptidyl peptidase 1 (1 Activities)

Discover Target: CTSC

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

CTSB Tchem Cathepsin B (3822 Activities)

Discover Target: CTSB

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

CTSK Tchem Cathepsin K (3011 Activities)

Discover Target: CTSK

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

CASP4 Tchem Caspase-4 (79 Activities)

Discover Target: CASP4

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

MMP14 Tchem Matrix metalloproteinase 14 (1592 Activities)

Discover Target: MMP14

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

CTSH Tchem Cathepsin H (179 Activities)

Discover Target: CTSH

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

BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

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

CTSC Tchem Dipeptidyl peptidase I (1385 Activities)

Discover Target: CTSC

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

KLK4 Tchem Kallikrein 4 (51 Activities)

Discover Target: KLK4

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

CTSV Tchem Cathepsin L2 (273 Activities)

Discover Target: CTSV

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

HepG2 (196354 Activities)

DMSO (mg/ml) Solubilidad máxima	60
DMSO (mM) Solubilidad máxima	199.820161854331
Agua (mg/ml) Solubilidad máxima	＜1
Peso molecular	300.270 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	300.094 Da
Monoisotopic Mass	300.094 Da
Topological Polar Surface Area	79.400 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	430.000
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