Cyclic ADP-Ribose

HCID 123847CAS 119340-53-3
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Grundinformationen

Standard-SMILES
N=c1c2ncn3c2ncn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChIKey
BQOHYSXSASDCEA-KEOHHSTQSA-N
Summenformel
C15H21N5O13P2
Durchschnittliche Molmasse
541,3 g/mol
Monoisotopische Masse
541,06110974

Namen und Bezeichner

Bevorzugter Name
Cyclic ADP-Ribose
IUPAC
(2R,3R,4S,5R,13R,14S,15R,16R)-8,10-dihydroxy-24-imino-8,10-dioxo-7,9,11,25,26-pentaoxa-1,17,19,22-tetraza-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-3,4,14,15-tetrol
Englischer Name
CADP-RIBOSE
Summenformel
C15H21N5O13P2
Molmasse
541.3

Namen und Synonyme

cyclic ADP-ribosecADPR119340-53-3cADP-RiboseCyclic ADP RibosecAPD riboseE-NADCyclic Adenosine Diphosphate RiboseDTXSID50896995Q780BR06V8Adenosine Diphosphate Ribose, Cyclic(2R,3R,4S,5R,13R,14S,15R,16R)-8,10-dihydroxy-24-imino-8,10-dioxo-7,9,11,25,26-pentaoxa-1,17,19,22-tetraza-8lambda5,10lambda5-diphosphapentacyclo[18.3.1.12,5.113,16.017,21]hexacosa-18,20,22-triene-3,4,14,15-tetrol
Weitere Namen anzeigen
C13050CYCLIC ADPRCADPR SODIUM SALTcADP-Ribose (cADPR)ADP-CYCLO-[N1:1'']-RIBOSEcADP-ribose ammonium saltCYCLIC ADENOSINE DIPHOSPHATE-RIBOSE
CHEBI:31445cADP RiboseAdenosine 5'-(trihydrogen diphosphate), N-alpha-D-ribofuranosyl-, intramol. 5'-5'-esterCyclic ADPriboseADPribose, CyclicADP-Ribose, Cyclic(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8$l^(5),10$l^(5)-diphosphapentacyclo(18.3.1.1^(2,5).1^(13,16).0^(17,21))hexacosa-18,20,22-triene-8,10-dione(2R,3R,4S,5R,13R,14S,15R,16R)-3,4,8,10,14,15-hexahydroxy-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8$l^{5},10$l^{5}-diphosphapentacyclo[18.3.1.1^{2,5}.1^{13,16}.0^{17,21}]hexacosa-18,20,22-triene-8,10-dione

Datenbank-Bezeichner

CAS
119340-53-3
PubChem CID
123847
DTXSID
DTXSID50896995
ChEBI
CHEBI:31445
UNII
Q780BR06V8
EC Number
634-254-4
Nikkaji
J626.674F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-5,7
Polarare Oberfläche (TPSA)
259 Ų
H-Brücken-Donoren
7
H-Brücken-Akzeptoren
16
Frei drehbare Bindungen
0
Schwere Atome
35

Physikochemische Eigenschaften

Siedepunkt
934.8 · 934.8±75.0 °C(Predicted)
Dichte
2.57 · 2.57±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
Löslichkeit
DMSO (Slightly), Methanol (Very Slightly), Water (Slightly)
Aggregatzustand
lyophilized powder
pka
0.97 · 0.97±0.70(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk
3
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenCyclic adenosine diphosphate-ribose (cADPR) is an intracellular second messenger that mobilizes intracellular Ca2+ release from the sarcoplasmic reticulum through ryanodine receptors. CADPR is also a second messenger for glucose-induced insulin release from endocrine pancreas and for abscisic acid-induced calcium release in plants.

Vor- und nachgelagerte Produkte

Anbieter15 Anbieter

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A cyclic purine nucleotide that is synthesised from NAD+ by ADP-ribosyl cyclase; acts as an agonist at ryanodine receptors.

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