Cladribine - Moligand™, ≥98% , DNA inhibitor, CAS No.4291-63-8, DNA inhibitor

CAS: 4291-63-8 Cat. No.: C129833 Formule: C₁₀H₁₂ClN₅O₃ Poids moléculaire: 285.69 Numéro CE: 636-978-6

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

CdA | Mavenclad (TN) | Q414030 | RWJ-26251-000 | Tox21_110834 | Cladribine (JAN/USP/INN) | NSC-05014 | SW197746-4 | 2-Chloro-2'-deoxy-beta-adenosine | BC164318 | HMS3715F17 | MFCD00153939 | MLS000759397 | Mylinax | DTXSID8022828 | MLS000028377 | NCGC00254

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Cladribine is an adenosine deaminase inhibitor for U266, RPMI8226, and MM1.S cells with IC50 of approximately 2.43 μM, 0.75 μM, and 0.18 μM, respectively
It is a chlorinated purine nucleoside with activity against lymphoproliferative disorders, such as hairy cell leukemia (HCL) and multiple myeloma (MM). 2-CdA resists ADA degradation and is phosphorylated to CdATP in lymphocytes. CdATP incorporation into DNA induces strand breaks and the activation of apoptosis. 2-CdA may also be used in studies involving the inhibition of DNA polymerase(s). Cladribiane, like fludarabine, is a prodrug that is must be phosphorylated intracellularly to the monophosphate by the nuclear/cytosol enzyme deoxycytidine kinase (dCK) and possibly by the mitochondrial enzyme deoxyguanosine kinase (dGK).

Spécifications

Synonymes

CdA | Mavenclad (TN) | Q414030 | RWJ-26251-000 | Tox21_110834 | Cladribine (JAN/USP/INN) | NSC-05014 | SW197746-4 | 2-Chloro-2'-deoxy-beta-adenosine | BC164318 | HMS3715F17 | MFCD00153939 | MLS000759397 | Mylinax | DTXSID8022828 | MLS000028377 | NCGC00254

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Deoxyadenosine analog resistant to adenosine deaminase; antileukemic with immunosuppressive activity

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

DNA inhibitor

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Propriétés du produit

ALogP

0.8

Noms et identifiants

Pubchem Sid

504752972

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752972

Sourires canoniques

C1C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O

IUPAC Name

(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

InChIKey

PTOAARAWEBMLNO-KVQBGUIXSA-N

INCHI

1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1

Isomères SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=C(N=C32)Cl)N)CO)O

RTECS

AU7357560

Poids moléculaire

285.69

Reaxy-Rn

11335952

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11335952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Purine nucleosides
      • Subclass Purine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleosides
• Subclass: Purine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 2'-deoxyribonucleosides
• Alternative Parents: 6-aminopurines 2-halopyrimidines Aminopyrimidines and derivatives Aryl chlorides N-substituted imidazoles Imidolactams Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - N-substituted imidazole - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Tetrahydrofuran - Heteroaromatic compound - Imidazole - Azole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Primary alcohol - Primary amine - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine linked to a ribose which lacks a hydroxyl group at position 2.
• External Descriptors: organochlorine compound - purine 2'-deoxyribonucleoside

Data sources

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

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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MAOA Tclin Monoamine oxidase A (11911 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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DRD1 Tclin Dopamine D1 receptor (9720 Activities)

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DRD4 Tchem Dopamine D4 receptor (7907 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

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HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

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SLC6A4 Tclin Serotonin transporter (12625 Activities)

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PDE2A Phosphodiesterase 2A (77 Activities)

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Pde4d Phosphodiesterase 4D (4 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Cryptococcus neoformans (21258 Activities)

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Measles morbillivirus (693 Activities)

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EL4 (235 Activities)

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L1210 (27553 Activities)

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P388 (20296 Activities)

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C6 (2371 Activities)

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MAT-Ly-Lu (18 Activities)

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CT26 (928 Activities)

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Giardia (1682 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Glra2 Glycine receptor (1745 Activities)

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SARS-CoV-2 (38078 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO ( ≥57 mg/ml), water (<1 mg/ml), ethanol (<1 mg/ml), and methanol.
• Sensibilité: Heat sensitive
• Point de fusion (°C): 220°C
• Poids moléculaire: 285.690 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 285.063 Da
• Monoisotopic Mass: 285.063 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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