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571190-30-2

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Basic Information
CAS No.: 571190-30-2
Name: OTAVA-BB 1115529
Article Data: 48
Molecular Structure:
Molecular Structure of 571190-30-2 (OTAVA-BB 1115529)
Formula: C24H29N7O2
Molecular Weight: 447.54
Synonyms: 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one;PD 0332991;PD 332991;
EINECS: 810-186-2
Density: 1.313 g/cm3
Melting Point: 200 °C
Boiling Point: 711.5 °C at 760 mmHg
Flash Point: 384.1°C
PSA: 105.04000
LogP: 3.43260
Related products
Synthetic route

C24H28ClN7O2

571190-30-2

PD 0332991

Conditions
ConditionsYield
With hydrogen; sodium hydroxide In ethanol at 40 - 50℃; for 4h; Reagent/catalyst; Solvent;98.6%
With hydrogen; sodium hydroxide; palladium dichloride In ethanol at 40 - 50℃; for 4h;97.1%

4-[6-(6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-ylamino)pyridine-3-yl]piperazine-1-carboxylic acid tert-butyl ester

571190-30-2

PD 0332991

Conditions
ConditionsYield
With hydrogenchloride In tetrahydrofuran; water at 25 - 30℃; for 5h;98.5%
With methanesulfonic acid In water; acetone at 55 - 70℃; for 8h; Reagent/catalyst;95%
With hydrogenchloride In water; butan-1-ol at 70℃; for 2h;84.8%

tert‑butyl 4‑(6‑((6‑(1‑butoxyvinyl)‑8‑cyclopentyl‑5‑methyl‑7‑oxo‑7,8‑dihydropyrido[2,3‑d]pyrimidin‑2‑yl)amino)pyridin‑3‑yl)piperazine‑1‑carboxylate

571190-30-2

PD 0332991

Conditions
ConditionsYield
With methanesulfonic acid In water; acetone at 45 - 55℃; Solvent; Reagent/catalyst; Large scale;98%
With methanesulfonic acid In water; acetone at 55℃; Reagent/catalyst;98%
With methanesulfonic acid In water; acetone at 45 - 55℃; for 0.5h;96.2%

6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one isethionate

571190-30-2

PD 0332991

Conditions
ConditionsYield
With water; sodium carbonate at 30℃; for 1h; Reagent/catalyst; Temperature;97%
With sodium hydroxide In methanol; water at 25 - 35℃; pH=10;32.2 g

6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride

571190-30-2

PD 0332991

Conditions
ConditionsYield
With water; sodium hydroxide at 100℃;96%
With sodium hydroxide In water pH=10 - Ca. 11; Concentration;90%
With sodium hydroxide In water pH=11 - 12.5; Large scale;

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-5,6-dihydropyrido[2,3-d]pyrimidyl-7(8H)-one

571190-30-2

PD 0332991

Conditions
ConditionsYield
With tetrahydropyridine dichromate nickel (II); acetic acid at 25 - 35℃; for 8h; Temperature;95.3%
With sodium selenate In dimethyl sulfoxide at 150 - 160℃;94%
827022-32-2

6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride

571190-30-2

PD 0332991

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water for 1h; pH=9; Solvent;95%
Stage #1: 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride In water at 55℃; for 1.5h;
Stage #2: With ammonia at -5 - 0℃; for 4h;		84.2%
With triethylamine In water at 0 - 40℃;65%

6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one acetate

571190-30-2

PD 0332991

Conditions
ConditionsYield
With sodium hydroxide In water pH=10 - Ca. 11;95%

palbociclib dihydrochloride dihydrate

571190-30-2

PD 0332991

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water at 19 - 25℃; for 21h;94%

C24H29N7O2*2CH4O3S

571190-30-2

PD 0332991

Conditions
ConditionsYield
With sodium hydroxide In water; acetone at 28℃; for 1.75h; pH=12; Large scale;92%
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    571190-30-2

    High purity CAS 571190-30-2 Palbociclib in stock

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    OTAVA-BB 1115529 CAS: 571190-30-2 Specification CAS: 571190-30-2 MF: C24H29N7O2 MW: 447.54 EINECS: 810-186-2 Product Categories: Inhibitors;Anticancer;API Mol File: 571190-30-2.mol Palbociclib Structure Palbociclib Chemical Properties Melti

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Specification

This chemical has the systematic name 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one. With the CAS registry number 571190-30-2, it is also known as PD 0332991. Its molecular formula is C24H29N7O2 and its molecular weight is 447.532760. Additionally, its product categories are 

Other characteristics of the 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 11.58; (9)#H bond acceptors: 9; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 85.77 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 123.93 cm3; (15)Molar Volume: 340.7 cm3; (16)Polarizability: 49.13×10-24cm3; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.313 g/cm3; (19)Flash Point: 384.1 °C; (20)Enthalpy of Vaporization: 104.03 kJ/mol; (21)Boiling Point: 711.5 °C at 760 mmHg; (22)Vapour Pressure: 4.32E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C2N(c1nc(ncc1/C(=C2/C(=O)C)C)Nc3ncc(cc3)N4CCNCC4)C5CCCC5
2.InChI: InChI=1/C24H29N7O2/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29)
3.InChIKey: AHJRHEGDXFFMBM-UHFFFAOYAM