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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1880954Generated: November 2, 2026

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → (R)-4-(9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(1-(2-hydroxyethyl)piperidin-4-yl)-3-methoxybenzamide

https://huagongshe.com/reaction/1880954

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant2-(4-Aminopiperidin-1-yl)ethan-1-olHCID 15733445—
Reactant(R)-4-(9-cyclohexyl-7-fluoro-7-vinyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acidHCID 67117829—
Product(R)-4-(9-cyclopentyl-7-fluoro-5-methyl-6-oxo-7-vinyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-N-(1-(2-hydroxyethyl)piperidin-4-yl)-3-methoxybenzamideHCID 25253228—

Reaction Steps

The title compound was synthesized from (R)-4-(9-cyclohexyl-7-fluoro-7-vinyl-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid as described in the General procedure for amide bond synthesis using HATU and 2-(4-aminopiperidin-1-yl)ethanol. 1H NMR (400 MHz, DMSO-d6) δ ppm 1.47-2.14 (m, 15 H) 2.38 (t, J=6.32 Hz, 3 H) 2.89 (d, J=11.62 Hz, 2 H) 3.28 (s, 3 H) 3.49 (q, J=6.23 Hz, 2 H) 3.67-3.85 (m, 3 H) 3.94 (s, 3 H) 4.37 (t, J=5.43 Hz, 1 H) 4.89 (d, J=8.34 Hz, 1 H) 5.28-5.48 (m, 2 H) 6.01 (ddd, J=17.56, 12.76, 10.86 Hz, 1 H) 7.40-7.54 (m, 2 H) 7.82 (s, 1 H) 8.10 (d, J=7.58 Hz, 2 H) 8.30 (d, J=8.34 Hz, 1 H). [M+H] calc'd for C30H40FN7O4, 582; found 582.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08318727B2
Source datasetuspto-grants-2012_11
ORD IDord-7d26c644d7814fb18ebcd0dc9d311260
Source noteuspto-grants-2012_11