CADP-리보스

Cyclic ADP-Ribose

HCID 123847CAS 119340-53-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 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
분자식: C15H21N5O13P2
평균 분자량: 541.3 g/mol
단동위원소 질량: 541.06110974

이름 및 식별자

우선 이름: 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
현지명: CADP-리보스
영어명: CADP-RIBOSE
분자식: C15H21N5O13P2
분자량: 541.3

이름 및 동의어

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

이름 더 보기

CADP-리보스C13050CYCLIC 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -5.7
극성 표면적: 259 Å²
수소 결합 공여자 수: 7
수소 결합 수용자 수: 16
회전 가능 결합 수: 0
무거운 원자 수: 35
형식 전하: 0
복잡도: 989

물리화학적 성질

끓는 점: 934.8 · 934.8±75.0 °C(Predicted)
밀도: 2.57 · 2.57±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C
용해도: DMSO (약간 용해됨), 메탄올(살짝살짝용해됨), 물 (약간 용해됨)
물리적 상태: 동결건조된 분말
산도 계수 (pKa): 0.97 · 0.97±0.70(Predicted)
색상: White to off-white
생물학적 소스: (Ovotestis from sea hare)
안정성: 흡습성
화장품 원료 기능: 피부 컨디셔닝헤어 컨디셔닝피부 보호
InChIKey: BQOHYSXSASDCEA-KEOHHSTQSA-N
SMILES: O[C@H]1[C@@H](O)[C@H]2O[C@@H]1COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)[n@H]4cnc5C(=N)[N@@H]2C=Nc45

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

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

화학 및 산업

응용 분야 · 1건

용도Cyclic 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.

상·하류 제품 정보

상류 원료

Adenosine 5'-(trihydrogen diphosphate), P'→5'-ester with 3-(aminocarbonyl)-1-β-D-ribofuranosylpyridinium 니코틴아미드아데닌 디뉴클레오티드

공급사15 곳

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]

추가 설명

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

연결된 노트

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