스핑가닌

Sphinganine

HCID 91486
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기본 정보

CAS
3102-56-5
표준 SMILES
CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO
InChIKey
OTKJDMGTUTTYMP-ZWKOTPCHSA-N
분자식
C18H39NO2
평균 분자량
301.5 g/mol
단동위원소 질량
301.29807949

이름 및 식별자

우선 이름
Sphinganine
IUPAC
(2S,3R)-2-aminooctadecane-1,3-diol
현지명
스핑가닌
영어명
DL-erythro-Dihydrosphingosine
분자식
C18H39NO2
분자량
301.51

이름 및 동의어

Sphinganine764-22-7(2S,3R)-2-aminooctadecane-1,3-diolD-erythro-SphinganineDihydrosphingosineOctadecasphinganineC18-DihydrosphingosineD-erythro-C18-DihydrosphingosineD-erythro-2-Amino-1,3-octadecanediolD-erythro-1,3-Dihydroxy-2-aminooctadecaneSPC 1028601,3-Octadecanediol, 2-amino-, (2S,3R)-
이름 더 보기
스핑가닌D-ERYTHRO-DIHYDROSPHINGOSINEDL-ERYTHRO-1,3-DIHYDROXY-2-AMINOOCTADECANEDL-SPHINGANINED,L-ERYTHRO-SPHINGANINEDL-ERYTHRO-DIHYDROSPHINGOSINEDIHYDROSPHINGOSINE, D-ERYTHROD-ERYTHRO-SPHINGOSINE, DIHYDRO-D-ERTYTHRO-SPHINGANINE, C18 CHAIN
2-Amino-1,3-dihydroxyoctadecaneYT0ZSD64HM1,3-Octadecanediol, 2-amino-, D-erythro-1,3-Octadecanediol, 2-amino-, (R-(R*,S*))-CHEBI:16566DTXSID5010165681,3-Octadecanediol, 2-amino-, [R-(R*,S*)]-d18:0

데이터베이스 식별자

CAS
3102-56-5、764-22-7
PubChem CID
91486
DTXSID
DTXSID501016568
ChEMBL
CHEMBL448741
ChEBI
CHEBI:16566
UNII
YT0ZSD64HM
EC Number
212-116-0、608-571-3
Nikkaji
J14.383I

물성

구조 계산 물성

XLogP
5.8
극성 표면적
66.5 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
16
무거운 원자 수
21

실험 및 물리화학적 성질

Physical DescriptionSolid
Collision Cross Section · 3건

188 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

189 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]；191.1 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

188.9 Ų [M+H]+；190.8 Ų [M+Na]+

물리화학적 성질

녹는점
70 · 70-72°C
끓는 점
446.2 · 446.2±25.0 °C(Predicted)
밀도
0.927 · 0.927±0.06 g/cm3(Predicted)
저장 조건
20 °C · −20°C
용해도
클로로포름/메탄올(9:1): 20mg/mL, 투명, 무색 ~ 희미한 노란색
산도 계수 (pKa)
12.57 · 12.57±0.45(Predicted)

화학적 성질

White Powder

안전 및 규제

안전 데이터

wgk
3

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Tissue LocationsEpidermis；Fibroblasts；Intestine；Kidney；Liver；Placenta；Platelet；Spleen；Thyroid Gland
Cellular LocationsCytoplasm；Endoplasmic reticulum；Extracellular；Membrane
Metabolite PathwaysFabry disease；Gaucher Disease；Globoid Cell Leukodystrophy；Krabbe disease；Metachromatic Leukodystrophy (MLD)；Starch and sucrose metabolism

용도 및 제조

Household ProductsInformation on 5 consumer products that contain Sphinganine in the following categories is provided:；• Personal Care
응용 분야 · 2건

개요DL-erythro Sphinganine (d18:0) is a precursor of ceramide and sphingosine as well as a substrate of sphingosine kinases, which generate sphinganine-1-phosphate . Sphinganine levels increase significantly in response to certain mycotoxins, including fumonisins as well as in some cancers. This product is a mixture of sphinganine (d18:0) , L-erythro sphinganine (d18:0) , D-threo sphinganine (d18:0) , and L-threo sphinganine (d18:0). [Matreya, LLC. Catalog No. 1324]

용도DL-erythro-Dihydrosphingosine is an inhibitor of PKC (protein kinase C). This compound also blocks PLA2 (phospholipases A2) and the D-sphingosine precursor.

공급사39 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
Aladdin Scientific[email protected]

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