H71
8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE
Find entries where: H71
is present as a standalone ligand in 3 entries
Chemical Component Summary | |
|---|---|
| Name | 8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE |
| Identifiers | 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[3-(propan-2-ylamino)propyl]purin-6-amine |
| Formula | C18 H21 I N6 O2 S |
| Molecular Weight | 512.368 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4 |
| InChI | InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23) |
| InChIKey | SUPVGFZUWFMATN-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 49 |
| Chiral Atom Count | 0 |
| Bond Count | 52 |
| Aromatic Bond Count | 16 |
Drug Info: DrugBank
| DrugBank ID | DB12638? |
|---|---|
| Name | Zelavespib |
| Groups | investigational |
| Description | Zelavespib (PU-H71) has been used in trials studying the treatment of LYMPHOMA, Solid Tumors, Metastatic Solid Tumor, and Myeloproliferative Neoplasms (MPN). |
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| Categories |
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| CAS number | 873436-91-0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL200102 |
| PubChem | 9549213 |
| ChEMBL | CHEMBL200102 |
