2, 6-디아미노푸린

2,6-Diaminopurine

HCID 30976CAS 133762-79-5

기본 정보

표준 SMILES: Nc1nc(N)c2[nH]cnc2n1
InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N
분자식: C5H6N6
평균 분자량: 150.14 g/mol
단동위원소 질량: 150.06539419

개요

9H-purine-2,6-diamine is a member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups. It has a role as an antineoplastic agent. It is a member of 2,6-diaminopurines and a primary amino compound. It is functionally related to an adenine.

이름 및 식별자

우선 이름: 2,6-Diaminopurine
IUPAC: 7H-purine-2,6-diamine
현지명: 2, 6-디아미노푸린
영어명: 2,6-Diaminopurine
분자식: C5H6N6
분자량: 150.14

이름 및 동의어

2,6-Diaminopurine1904-98-97H-purine-2,6-diamine2-Aminoadenine9H-Purine-2,6-diamine1H-Purine-2,6-diamine49P95BAU4ZNSC-743NSC743DTXSID0062052CHEBI:40235RefChem:445298

이름 더 보기

2,6-디아미노푸린PYRIDINE-2,6-DIAMINEx79X 7926DAPYsq21065

DTXCID6035998CHEBI:38001217-605-22,6-diamino-9h-purine26-diaminopurinePurine, 2,6-diamino-Clofarabine Impurity 2NSC 743

데이터베이스 식별자

CAS: 133762-79-5、1904-98-9
PubChem CID: 30976
DTXSID: DTXSID0062052
ChEMBL: CHEMBL388596
ChEBI: CHEBI:40235
UNII: 49P95BAU4Z
EC Number: 217-605-2
Nikkaji: J3.379K

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 107 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 150

물리화학적 성질

녹는점: 300 °C · >300 °C (lit.)
끓는 점: 285 °C · 285 °C(lit.)
밀도: 1.2562 · 1.2562 (rough estimate)
굴절률: 1.875 · 1.8750 (estimate)
인화점: 155 °C · 155 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 결정성 분말 또는 과립
산도 계수 (pKa): 8.61 · 8.61±0.20(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 2.38 g/L · 2.38g/L(20℃)
Merck: 14 · 14,2985
BRN: 9624 · 9624
InChI: 1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)
InChIKey: MSSXOMSJDRHRMC-UHFFFAOYSA-N
SMILES: Nc1nc(N)c2nc[nH]c2n1
NIST: 2 · Purine, 2,6-diamio-(1904-98-9)
EPA: 2 · 2,6-Diaminopurine (1904-98-9)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information1H-Purine-2,6-diamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (88.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: US7570000
HS 번호: 29335990
risk_code: 22-36/37/38-40-20/21/22
hazard_code: Xn
safety_code: 26-45-36/37-36/37/39-27-36-22
F 고인화성물질: 9
Hazard Classifications: Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationCompounds that inhibit cell production of DNA or RNA.

용도 및 제조

General Manufacturing Information9H-Purine-2,6-diamine: ACTIVE

응용 분야

용도2,6-Diaminopurine can be used as analyte for biological and analytical studies of incorporation of unnatural nucleotides into mutant tRNA and proteins.