암사크린

암사크린 · AMSA · CI-880 · m-AMSA · C01553 · Amekrin · Amsidyl · Amsakrin

식별자 및 물리적 특성

CAS No.	51264-14-3
분자식	C21H19N3O3S
평균 분자량	393.5 g/mol
단동위원소 질량	393.11471247 g/mol
SMILES	COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
InChIKey	XCPGHVQEEXUHNC-UHFFFAOYSA-N
PubChem CID	2179
ChEMBL	CHEMBL43
ChEBI	CHEBI:2687
EC No.	257-094-3
DTXSID	DTXSID4022604
현지명	암사크린

화학 및 물리적 성질

XLogP	4
극성 표면적	88.7
수소 결합 공여자 수	2
수소 결합 수용자 수	6
회전 가능 결합 수	5
무거운 원자 수	28
형식 전하	0
복잡도	601
의약품	Pharmaceuticals -> Listed in ZINC15
LogP(분배 계수)	log Kow = 2.85 @ pH 7.43.8
Color/Form	Yellow crystalline powder
용해도	<1 mg/mLSlightly soluble in chloroform, ethanol, and methanol.Insoluble in water (less than 1.0 mg/ml)3.17e-03 g/LWater < 1.0 (mg/mL)pH 4 buffer < 1.0 (mg/mL)DMSO에 용해됨
Decomposition	When heated to decomposition it emits very toxic fumes of /nitric oxides & sulfur oxides/
녹는점	230-240 °C234 - 236 °C
Physical Description	Solid
Stability/Shelf Life	Three yr at ambient temp not exceeding 25 °C, protected from light.Amsacrine is relatively stable in an aq vehicle, provided reconstitution takes place in the presence of lactate ions, and pH remains acidic. It is stable for 48 hr after dilution in 5% glucose. ... Saline must be avoided as a diluent.Physical stability is not significantly affected by normal temp ranges. The drug is light-sensitive. After dilution in 5% glucose at a final concn of 150 ug/ml, amsacrine is stable during exposure to diffuse daylight or fluorescent light over a 48 hr period.Bulk: A sample stored at 60 °C for 30 days showed no decomposition (IR, TLC or UV). Solution: A sample was dissolved in methanol and diluted with water (1:33). No decomposition was detected by UV after standing 4 days at room temperature and exposed to light.
Collision Cross Section	193.1 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]191.71 Å² [M+H]+ [CCS Type: TW
Other Experimental Properties	Mol wt 429.93. Crystals, mp 197-199 °C /Hydrochloride/Mol wt 489.57. Crystals, mp 292-293 °C /Methanesulfonate/
끓는 점	563.0±60.0 °C(Predicted)
밀도	1.2205 (rough estimate)
굴절률	1.6740 (estimate)
저장 조건	2-8°C(protect from light)
물리적 상태	가루
pKa(산도 계수)	8.55±0.10(Predicted)
색상	Orange to red

안전 및 규제

GHS 분류	DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P261, P264, P270, P272, P280, P301+P316, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
규제 정보	Hazard Traits - Carcinogenicity
기타 안전 정보	IMAP assessments - Methanesulfonamide, N-(4-(9-acridinylamino)-3-methoxyphenyl)-: Human health tier I assessment
Hazard Classes and Categories	Acute Tox. 3 (100%)
Shipment Methods and Regulations	PRECAUTIONS FOR "CARCINOGENS": Procurement ... of unduly large amt ... should be avoided. To avoid spilling, carcinogens should be transported in securely sealed glass bottles or ampoules, which should themselves be placed inside strong screw-cap or snap-top container that will not open when dropped & will resist attack from the carcinogen. Both bottle & the outside container should be appropriately labelled. ... National post offices, railway companies, road haulage companies & airlines have regulations governing transport of hazardous materials. These authorities should be consulted before ... material is shipped. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": When no regulations exist, the following procedure must be adopted. The carcinogen should be enclosed in a securely sealed, watertight container (primary container), which should be enclosed in a second, unbreakable, leakproof container that will withstand chem attack from the carcinogen (secondary container). The space between primary & secondary container should be filled with absorbent material, which would withstand chem attack from the carcinogen & is sufficient to absorb the entire contents of the primary container in the event of breakage or leakage. Each secondary container should then be enclosed in a strong outer box. The space between the secondary container & the outer box should be filled with an appropriate quantity of shock-absorbent material. Sender should use fastest & most secure form of transport & notify recipient of its departure. If parcel is not received when expected, carrier should be informed so that immediate effort can be made to find it. Traffic schedules should be consulted to avoid ... arrival on weekend or holiday ... /Chemical Carcinogens/
Hazardous Reactivities and Incompatibilities	/Amsacrine/... is incompatible with chloride or sulphate ions ... .

용도

개요

Amsacrine is a cytostatic reported to be active against adult lymphoblastic leukemia which has failed primary treatment or become resistant. Its clinical use, however, is associated with significant neuro-, gastro- and hepatotoxicity.

용도

Amsacrine (Amsidyl) is used as an Investigational drug.