Pyrimidodiazepines

Description:

Compounds containing a pyrimidoazepine moiety, which consists of a pyrimidine fused to a piperazine ring by a bond. Pyrimidine is 6-membered ring consisting of five carbon atoms and two nitrogen atoms at ring positions 1 and 3. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Pyrimidodiazepines

Popular Products

Benzomalvin A
CAS: 157047-96-6 Formula: C₂₄H₁₉N₃O₂ Molecular Weight: 381.4

Out of Stock Item #: B1297264

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Technical Identifiers

IUPAC Name

7-benzyl-6-methyl-7H-quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

SMILES

CN1C(C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O)CC5=CC=CC=C5

InChIKey
YYWUABJYAOCACI-UHFFFAOYSA-N

InChI

1S/C24H19N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-14,21H,15H2,1H3
Ro3280
CAS: 1062243-51-9 PubChem CID: 25015677 Formula: C₂₇H₃₅F₂N₇O₃ Molecular Weight: 543.61

Moligand™ ? 10mM in DMSO

In Stock Item #: R420492

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Technical Identifiers

IUPAC Name

4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC

InChIKey
DJNZZLZKAXGMMC-UHFFFAOYSA-N

InChI

1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15show more

Synonyms
BCP05205 | HMS3653O21 | PharmaGSID_48511 | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid | 4-((9-Cyclope...
TAK 960 hydrochloride
CAS: 2108449-45-0 PubChem CID: 91826087 Formula: C₂₇H₃₄F₃N₇O₃.HCl Molecular Weight: 598.06

≥98%(HPLC)

Out of Stock Item #: T288649

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Technical Identifiers

IUPAC Name

4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide;hydroshow more

SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC.Cl

InChIKey
QZBHDFGFNVMONB-UHFFFAOYSA-N

InChI

1S/C27H34F3N7O3.ClH/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2;/h1show more

Synonyms
4-[(9-Cyclopentyl-7,7-difluoro-6,7,8,9-tetrahydro-5-methyl-6-oxo-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro...
TAK-960
CAS: 1137868-52-0 PubChem CID: 53357478 Formula: C₂₇H₃₄F₃N₇O₃ Molecular Weight: 561.61

≥97%

In Stock Item #: T172117

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Technical Identifiers

IUPAC Name

4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC

InChIKey
GWRSATNRNFYMDI-UHFFFAOYSA-N

InChI

1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,show more

Synonyms
3831VFM1ZB | BDBM50435727 | 1137868-52-0 | Q27452103 | Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI) | 4-((9-Cyclopentyl-7...
Ro3280
CAS: 1062243-51-9 PubChem CID: 25015677 Formula: C₂₇H₃₅F₂N₇O₃ Molecular Weight: 543.61

Moligand™ ? ≥99%

In Stock Item #: R127227

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Technical Identifiers

IUPAC Name

4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

SMILES

CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC

InChIKey
DJNZZLZKAXGMMC-UHFFFAOYSA-N

InChI

1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15show more

Synonyms
BCP05205 | HMS3653O21 | PharmaGSID_48511 | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid | 4-((9-Cyclope...

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