Drug Details
| General Information of the Drug (ID: DR7865) | ||||
|---|---|---|---|---|
| Name |
Birinapant
|
|||
| Synonyms |
Birinapant; 1260251-31-7; Birinapant (TL32711); TL32711; TL-32711; UNII-6O4Z07B57R; TL 32711; 6O4Z07B57R; (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide; (2s,2's)-N,N'-[(6,6'-Difluoro-1h,1'h-2,2'-Biindole-3,3'-Diyl)bis{methanediyl[(2r,4s)-4-Hydroxypyrrolidine-2,1-Diyl][(2s)-1-Oxobutane-1,2-Diyl]}]bis[2-(Methylamino)propanamide]; Propanamide, N,N'-[(6,6'-difluoro[2,2'-bi-1H-indole]-3,3'-diyl)bis[methylene[(2R,4S)-4-hydroxy-2,1-pyrrolidinediyl][(1S)-1-ethyl-2-oxo-2,1-ethanediyl]]]bis[2-(methylamino)-, (2S,2'S)-; Birinapant [USAN:INN]; Birinapant di-HCl; Birinapant (USAN/INN); MLS006011237; GTPL7432; TL32711 2HCl; CHEMBL3039522; SCHEMBL10049847; DTXSID30155057; EX-A258; TL-32711 2HCl; C42H56F2N8O6; AOB87396; 2269AH; ABP001107; BDBM50071920; MFCD25976869; NSC767128; NSC816007; s7015; ZINC96941868; AKOS030526366; CCG-270498; CS-1719; DB11782; NSC-767128; NSC-816007; SB16522; AC-32868; AS-17035; HY-16591; SMR004702997; SW220103-1; A12738; D10417; Z-3165; Q27075298; (2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanam; (2S,2'S)-N,N'-((2S,2'S)-((3S,3'S,5R,5'R)-5,5'-((6,6'-difluoro-1H,1'H-[2,2'-biindole]-3,3'-diyl)bis(methylene))bis(3-hydroxypyrrolidine-5,1-diyl))bis(1-oxobutane-2,1-diyl))bis(2-(methylamino)propanamide); (2S,2'S)-N,N'-((2S,2'S)-1,1'-((3S,3'S,5R,5'R)-5,5'-(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis(methylene)bis(3-hydroxypyrrolidine-5,1-diyl))bis(1-oxobutane-2,1-diyl))bis(2-(methylamino)propanamide); (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide] (non-preferred name); GT6
Click to Show/Hide
|
|||
| Molecular Type |
Small molecule
|
|||
| Disease | Lymphoma [ICD-11: 2A80-2A86] | Phase 2 | [1] | |
| Structure |
|
Click to Download Mol2D MOL |
||
| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C42H56F2N8O6
|
|||
| PubChem CID | ||||
| Canonical SMILES |
CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC
|
|||
| InChI |
1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34-/m0/s1
|
|||
| InChIKey |
PKWRMUKBEYJEIX-DXXQBUJASA-N
|
|||
| CAS Number |
CAS 1260251-31-7
|
|||
| TTD Drug ID | ||||
| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
|---|---|---|---|---|---|---|
| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Paclitaxel | Taxus brevifolia | 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
|
|||||
| Biological
Regulation |
Induction | Cell cycle arrest in G2/M phase | ||||
| In-vitro Model | PANC-1 | CVCL_0480 | Pancreatic ductal adenocarcinoma | Homo sapiens | ||
| Experimental
Result(s) |
Paclitaxel combined to birinapant could interrupt cell cycle progression by inducing G2/M arrest, whereas the single-drug treatments would not. | |||||
| Target and Pathway | ||||
|---|---|---|---|---|
| Target(s) | Apoptosis inhibitor 2 (hIAP2) | Molecule Info | [3] | |
| X-linked inhibitor of apoptosis protein (XIAP) | Molecule Info | [3] | ||
| KEGG Pathway | NF-kappa B signaling pathway | Click to Show/Hide | ||
| 2 | Ubiquitin mediated proteolysis | |||
| 3 | Apoptosis | |||
| 4 | Focal adhesion | |||
| 5 | Toxoplasmosis | |||
| 6 | HTLV-I infection | |||
| 7 | Pathways in cancer | |||
| 8 | Small cell lung cancer | |||
| 9 | Hippo signaling pathway | |||
| 10 | NOD-like receptor signaling pathway | |||
| 11 | TNF signaling pathway | |||
| NetPath Pathway | TCR Signaling Pathway | Click to Show/Hide | ||
| Panther Pathway | Apoptosis signaling pathway | Click to Show/Hide | ||
| 2 | CCKR signaling map ST | |||
| Pathway Interaction Database | p75(NTR)-mediated signaling | Click to Show/Hide | ||
| 2 | BMP receptor signaling | |||
| 3 | Caspase Cascade in Apoptosis | |||
| 4 | TGF-beta receptor signaling | |||
| 5 | Canonical NF-kappaB pathway | |||
| 6 | CD40/CD40L signaling | |||
| 7 | FAS (CD95) signaling pathway | |||
| 8 | TNF receptor signaling pathway | |||
| Reactome | SMAC binds to IAPs | Click to Show/Hide | ||
| 2 | SMAC-mediated dissociation of IAP:caspase complexes | |||
| 3 | Deactivation of the beta-catenin transactivating complex | |||
| 4 | RIPK1-mediated regulated necrosis | |||
| 5 | Regulation of TNFR1 signaling | |||
| 6 | TNFR1-induced NFkappaB signaling pathway | |||
| 7 | Regulation of necroptotic cell death | |||
| 8 | Apoptotic cleavage of cellular proteins | |||
| 9 | NOD1/2 Signaling Pathway | |||
| 10 | TNFR2 non-canonical NF-kB pathway | |||
| 11 | TNF receptor superfamily (TNFSF) members mediating non-canonical NF-kB pathway | |||
| 12 | IKK complex recruitment mediated by RIP1 | |||
| WikiPathways | Copper homeostasis | Click to Show/Hide | ||
| 2 | Focal Adhesion | |||
| 3 | Apoptosis | |||
| 4 | Intrinsic Pathway for Apoptosis | |||
| 5 | Apoptosis Modulation and Signaling | |||
| 6 | NOD pathway | |||
| 7 | TNF alpha Signaling Pathway | |||
| 8 | TWEAK Signaling Pathway | |||
| 9 | Apoptotic execution phase | |||
