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I145

I-AB-MECA

solid

Synonym(s):

1-[6-[[(4-Amino-3-iodophenyl)methyl]amino]-9H-purin-9-yl]-1-deoxy-N-methyl-β-D-ribofuranuronamide, 3-Iodo-4-aminobenzyl-5′-N-methylcarboxamidoadenosine, N6-(4-Amino-3-iodobenzyl)-5′-N-methylcarbamoyladenosine

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About This Item

Empirical Formula (Hill Notation):
C18H20IN7O4
CAS Number:
152918-27-9
Molecular Weight:
525.30
NACRES:
NA.77
PubChem Substance ID:
24895933
UNSPSC Code:
12352200
MDL number:
MFCD00671784
Form:
solid
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form

solid

color

off-white

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.2 mg/mL, DMSO: 10 mg/mL, 0.1 M NaOH: 2 mg/mL, 0.1 M HCl: 7 mg/mL, H2O: insoluble

storage temp.

−20°C

SMILES string

CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NCc4ccc(N)c(I)c4)ncnc23

InChI

1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1

InChI key

LOGOEBMHHXYBID-MOROJQBDSA-N

Gene Information

human ... ADORA3(140)
rat ... Adora1(29290), Adora2a(25369), Adora3(25370)

Biochem/physiol Actions

Reference standard for radioiodinated I-AB-MECA, a widely used, high affinity radioligand for the A3 adenosine receptor.

Legal Information

Sold under license from the National Institutes of Health.

Storage Class

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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