Drug Details
| General Information of the Drug (ID: DR5502) | ||||
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| Name |
BIIB021
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| Synonyms |
BIIB021; 848695-25-0; 6-chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine; BIIB-021; CNF2024; BIIB 021; UNII-851B9FQ7Q0; CNF-2024; 6-Chloro-9-[(4-Methoxy-3,5-Dimethylpyridin-2-Yl)methyl]-9h-Purin-2-Amine; CHEMBL467399; CHEBI:90687; 851B9FQ7Q0; 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]purin-2-amine; CNF 2024; 848695-25-0 (free base); (6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9h-purin-2-yl)amine; [6-Chloro-9-(4-methoxy-3,5-dimethylpyridin-2-ylmethyl)-9H-purin-2-yl]amine; 6-chloro-9-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-9h-purin-2-amine; 6-chloro-9-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-9H-purin-2-ylamine; 6-Chloro-9-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-9h-purin-2-amine; 94M; 3qdd; BIIB021, Free Base; cc-544; MLS006011080; GTPL9258; SCHEMBL1791028; BIIB021,CNF2024; BIIB021/CNF2024; BDBM20800; AOB4502; EX-A681; QCR-185; BIIB021(CNF2024); BIIB021; CNF2024; BCPP000335; HMS3654G16; BCP02111; 2-amino-6-halopurine analogue, 20; ABP000837; ANW-70835; MFCD15528939; NSC773265; s1175; ZINC14974583; 9H-purin-2-amine, 6-chloro-9-((4-methoxy-3,5-dimethyl-2-pyridinyl)methyl)-; AKOS015969048; BCP9000411; CCG-264848; CS-0168; DB12359; NSC-773265; SB16641; NCGC00247877-01; AC-32860; AK104952; AS-55914; HY-10212; SMR004702868; AB0008087; FT-0696777; SW220186-1; X7555; W-5597; J-518605; BRD-K51967704-001-01-0; Q27075249
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| Molecular Type |
Small molecule
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| Disease | Breast cancer [ICD-11: 2C60] | Phase 2 | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C14H15ClN6O
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| PubChem CID | ||||
| Canonical SMILES |
CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N
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| InChI |
1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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| InChIKey |
QULDDKSCVCJTPV-UHFFFAOYSA-N
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| CAS Number |
CAS 848695-25-0
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| ChEBI ID | ||||
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| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Triptolide | Tripterygium hypoglaucum | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Molecule(s)
Regulation |
Down-regulation | Expression | AKT1 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | BIRC5 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | CASP3 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | EIF4EBP1 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | mTOR | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | p105 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | S6K1 | Molecule Info |
Pathway MAP
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| Up-regulation | Expression | TP53 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | XIAP | Molecule Info |
Pathway MAP
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| In-vitro Model | 8505C | CVCL_1054 | Thyroid gland anaplastic carcinoma | Homo sapiens | ||
| TPC-1 | CVCL_6298 | Thyroid gland papillary carcinoma | Homo sapiens | |||
| Experimental
Result(s) |
The synergism between BIIB021 and triptolide in induction of cytotoxicity is associated with the inhibition of PI3K/Akt/mTOR and NF-KappaB signal pathways, the underexpression of survivin and the activation of DNA damage response in thyroid carcinoma cells. | |||||
| Target and Pathway | ||||
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| Target(s) | Heat shock protein 90 alpha (HSP90A) | Molecule Info | [3] | |
| KEGG Pathway | Protein processing in endoplasmic reticulum | Click to Show/Hide | ||
| 2 | PI3K-Akt signaling pathway | |||
| 3 | Antigen processing and presentation | |||
| 4 | NOD-like receptor signaling pathway | |||
| 5 | Progesterone-mediated oocyte maturation | |||
| 6 | Estrogen signaling pathway | |||
| 7 | Pathways in cancer | |||
| 8 | Prostate cancer | |||
| NetPath Pathway | IL2 Signaling Pathway | Click to Show/Hide | ||
| 2 | TCR Signaling Pathway | |||
| Pathway Interaction Database | Signaling events mediated by HDAC Class II | Click to Show/Hide | ||
| 2 | Validated targets of C-MYC transcriptional activation | |||
| 3 | Integrin-linked kinase signaling | |||
| 4 | LKB1 signaling events | |||
| 5 | Regulation of Telomerase | |||
| 6 | Glucocorticoid receptor regulatory network | |||
| 7 | Class I PI3K signaling events | |||
| 8 | IL2 signaling events mediated by PI3K | |||
| 9 | Regulation of Androgen receptor activity | |||
| 10 | Integrins in angiogenesis | |||
| 11 | Hypoxic and oxygen homeostasis regulation of HIF-1-alpha | |||
| 12 | ErbB receptor signaling network | |||
| 13 | VEGFR1 specific signals | |||
| 14 | Signaling events mediated by VEGFR1 and VEGFR2 | |||
| 15 | Class I PI3K signaling events mediated by Akt | |||
| Reactome | Constitutive Signaling by Ligand-Responsive EGFR Cancer Variants | Click to Show/Hide | ||
| 2 | Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation | |||
| 3 | Regulation of actin dynamics for phagocytic cup formation | |||
| 4 | eNOS activation | |||
| 5 | Regulation of PLK1 Activity at G2/M Transition | |||
| 6 | Attenuation phase | |||
| 7 | HSF1-dependent transactivation | |||
| 8 | Loss of Nlp from mitotic centrosomes | |||
| 9 | Recruitment of mitotic centrosome proteins and complexes | |||
| 10 | Loss of proteins required for interphase microtubule organization?from the centrosome | |||
| 11 | EPHA-mediated growth cone collapse | |||
| 12 | VEGFA-VEGFR2 Pathway | |||
| 13 | VEGFR2 mediated vascular permeability | |||
| 14 | Anchoring of the basal body to the plasma membrane | |||
| 15 | Constitutive Signaling by EGFRvIII | |||
| WikiPathways | NRF2 pathway | Click to Show/Hide | ||
| 2 | Nuclear Receptors Meta-Pathway | |||
| 3 | Aryl Hydrocarbon Receptor Pathway | |||
| 4 | Binding and Uptake of Ligands by Scavenger Receptors | |||
| 5 | Signaling by ERBB2 | |||
| 6 | Fcgamma receptor (FCGR) dependent phagocytosis | |||
| 7 | Influenza Life Cycle | |||
| 8 | EBV LMP1 signaling | |||
| 9 | Aryl Hydrocarbon Receptor | |||
| 10 | Corticotropin-releasing hormone | |||
| 11 | TNF alpha Signaling Pathway | |||
| 12 | Arylhydrocarbon receptor (AhR) signaling pathway | |||
| 13 | Signaling by EGFR | |||
| 14 | Semaphorin interactions | |||
| 15 | Mitotic G2-G2/M phases | |||
| 16 | Metabolism of nitric oxide | |||
| 17 | NOD pathway | |||
