Basic information
- CAS
522606-67-3- Standard SMILES
N#Cc1c(N2CCCC2)nc(N)c2c(N)nc(N3CCCC3)cc12- InChIKey
SSWVPYMSHHEYAB-UHFFFAOYSA-N- Molecular formula
- C17H21N7
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.1858437
Names & identifiers
- Preferred name
- 1,8-Diamino-3,6-bis(pyrrolidin-1-yl)-2,7-naphthyridine-4-carbonitrile
- IUPAC
- 1,8-diamino-3,6-dipyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrile
- English name
- SID 3712249
- Molecular formula
- C17H21N7
- Molecular weight
- 323.4
Names & synonyms
522606-67-31,8-diamino-3,6-bis(pyrrolidin-1-yl)-2,7-naphthyridine-4-carbonitrileRefChem:417878100-822-0SID 37122491,8-diamino-3,6-dipyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrileMLS000054131SMR0000616051,8-Diamino-3,6-di-1-pyrrolidinyl-2,7-naphthyridine-4-carbonitrile1,8-diamino-3,6-di(pyrrolidin-1-yl)-2,7-naphthyridine-4-carbonitrileMFCD034838901,8-diamino-3,6-di(1-pyrrolidinyl)[2,7]naphthyridine-4-carbonitrile
Show more names
MiR-544 Inhibitor 1SID 3712249 >=95% (HPLC)2,7-Naphthyridine-4-carbonitrile, 1,8-diamino-3,6-di-1-pyrrolidinyl-
miR544-IN-1r(CUG)-MBNL1 Inhibitor 2orb1706635SCHEMBL2114203CHEMBL1583199BDBM32061cid_2997948GLXC-03717
Database identifiers
- CAS
522606-67-3
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Boiling point
- 669 · 669.0±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:4): 0.2 mg/ml
- form
- A crystalline solid
- pka
- 8.83 · 8.83±0.30(Predicted)
- color
- Light yellow to yellow
- InChI
- 1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)
- InChIKey
- SSWVPYMSHHEYAB-UHFFFAOYSA-N
- SMILES
- NC1=C2C(C=C(N3CCCC3)N=C2N)=C(C#N)C(N4CCCC4)=N1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSID 3712249 (MiR-544 Inhibitor 1) is a miR-544 biogenesis inhibitor. SID 3712249 binds directly to the precursor miRNA. SID 3712249 blocks production of the mature microRNA and decreases miR-544, HIF-1α, and ATM transcripts. SID 3712249 can be used in the research of cancers, such as breast cancer[1].
Suppliers17 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
Musechem+1-800-259-7612 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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