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Merck

C102

8-Cyclopentyl-1,3-dimethylxanthine

≥98% (HPLC), powder

Synonym(e):

8-Cyclopentyltheophylline, CPT

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100 MG

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CHF 263.00


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Über diesen Artikel

Empirische Formel (Hill-System):
C12H16N4O2
CAS-Nummer:
Molekulargewicht:
248.28
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Quality level:

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InChI

1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)

SMILES string

CN1C(=O)N(C)c2nc([nH]c2C1=O)C3CCCC3

InChI key

SCVHFRLUNIOSGI-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to off-white

solubility

H2O: slightly soluble <0.28 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.77 mg/mL, DMSO: ~16 mg/mL at 60 °C, 0.1 M NaOH: soluble

Quality Level

Gene Information

human ... ADORA1(134)

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Dieser Artikel
H127A9657H1512
form

powder

form

powder

form

powder or crystals

form

powder

assay

≥98% (HPLC)

assay

≥98% (HPLC)

assay

≥98% (TLC)

assay

-

Quality Level

100

Quality Level

100

Quality Level

200

Quality Level

200

solubility

H2O: slightly soluble <0.28 mg/mL, DMSO: ~16 mg/mL at 60 °C, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.77 mg/mL, 0.1 M NaOH: soluble

solubility

H2O: slightly soluble 1.5 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >14 mg/mL, ethanol: soluble

solubility

H2O: slightly soluble 0.2 mg/mL, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 1.2 mg/mL, 0.1 M HCl: soluble, acetonitrile: soluble, methanol: soluble

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.39 mg/mL, 0.1 M HCl: 3 mg/mL, DMSO: soluble, H2O: insoluble, ethanol: soluble

color

white to off-white

color

white to beige

color

white

color

white

Gene Information

human ... ADORA1(134)

Gene Information

human ... CHRM3(1131)

Gene Information

human ... CYP11A1(1583), CYP17A1(1586), CYP19A1(1588)
rat ... Cyp19a1(25147)

Gene Information

human ... ABCB1(5243), ADRA1A(148), ADRA2A(150), ADRA2C(152), CHRM1(1128), DRD2(1813), DRD3(1814), DRD4(1815), EBP(10682), HRH1(3269), HTR2A(3356), HTR2C(3358), HTR7(3363), KCNH1(3756), KCNH2(3757), PRNP(5621)
rat ... Adra1a(29412), Adra2a(25083), Chrm1(25229), Chrm2(81645), Drd1a(24316), Drd2(24318), Drd3(29238), Drd4(25432), Hrh1(24448), Htr1a(24473), Htr1b(25075), Htr2a(29595), Htr2c(25187), Oprs1(29336), Slc6a3(24898), Slc6a4(25553)

Biochem/physiol Actions

Selective A1 adenosine receptor antagonist.

Features and Benefits

This compound is featured on the Adenosine Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

Lagerklasse

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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